N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide

C19H26N6O3S — CID 137090050

IUPACN-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide
SMILESCCC1CC(N(CCO)S(=O)(=O)C2CC2)CC1c1nnc2cnc3[nH]ccc3n12
InChIInChI=1S/C19H26N6O3S/c1-2-12-9-13(24(7-8-26)29(27,28)14-3-4-14)10-15(12)19-23-22-17-11-21-18-16(25(17)19)5-6-20-18/h5-6,11-15,20,26H,2-4,7-10H2,1H3
InChIKeyPOXRRNGNUURFHS-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.66
Rot. Bonds7

About N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide

N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide (PubChem CID 137090050) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide
PubChem CID137090050
Molecular FormulaC19H26N6O3S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC NameN-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide
SMILESCCC1CC(N(CCO)S(=O)(=O)C2CC2)CC1c1nnc2cnc3[nH]ccc3n12
InChIInChI=1S/C19H26N6O3S/c1-2-12-9-13(24(7-8-26)29(27,28)14-3-4-14)10-15(12)19-23-22-17-11-21-18-16(25(17)19)5-6-20-18/h5-6,11-15,20,26H,2-4,7-10H2,1H3
InChIKeyPOXRRNGNUURFHS-UHFFFAOYSA-N
XLogP1.66
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl] N-[3-(dimethylamino)propyl]carbamate
CID 136643698
12-[(1S,2R,4R)-2-ethyl-4-pyrazin-2-yloxycyclopentyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 141383226
12-[(1S,2R,4S)-2-ethyl-4-[[(2R)-2-methylpyrrolidin-1-yl]sulfonylmethyl]cyclopentyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 158984960
N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 137161430
12-[(2R,4R)-4-(cyclopropylsulfonylmethyl)-1-ethylpyrrolidin-2-yl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 137466181
12-[(3S,4R)-4-ethylpyrrolidin-3-yl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 137213417
4-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]oxythiane 1,1-dioxide
CID 137131608
N-[(3R)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-3,3-difluoroazetidine-1-sulfonamide
CID 162569422
3-cyano-1-[(1S,3R,4S)-3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]propane-1-sulfonamide
CID 159207778
[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl] N-methyl-N-(oxetan-3-yl)carbamate
CID 137158358
12-[(1R,2S,4R)-4-(cyclopropylsulfonylmethyl)-2-propan-2-ylcyclopentyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 159499392
[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl] 4-cyanopiperidine-1-carboxylate
CID 137156919

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide?
The IUPAC name of N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide (CID 137090050) is N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide.
What is the SMILES notation for N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide?
The canonical SMILES for N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide is CCC1CC(N(CCO)S(=O)(=O)C2CC2)CC1c1nnc2cnc3[nH]ccc3n12.
What is the InChIKey of N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide?
The InChIKey is POXRRNGNUURFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c1-2-12-9-13(24(7-8-26)29(27,28)14-3-4-14)10-15(12)19-23-22-17-11-21-18-16(25(17)19)5-6-20-18/h5-6,11-15,20,26H,2-4,7-10H2,1H3.
What are the key properties of N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide?
N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-N-(2-hydroxyethyl)cyclopropanesulfonamide is sourced from PubChem (CID 137090050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).