N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide

C16H23N5O2S — CID 67351520

IUPACN-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NC(C1CCCCC1)N1Cc2c(cnc3[nH]ccc23)N1
InChIInChI=1S/C16H23N5O2S/c1-24(22,23)20-16(11-5-3-2-4-6-11)21-10-13-12-7-8-17-15(12)18-9-14(13)19-21/h7-9,11,16,19-20H,2-6,10H2,1H3,(H,17,18)
InChIKeyFFWYDESXWYBJKP-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.16
Rot. Bonds4

About N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide

N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide (PubChem CID 67351520) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide
PubChem CID67351520
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NC(C1CCCCC1)N1Cc2c(cnc3[nH]ccc23)N1
InChIInChI=1S/C16H23N5O2S/c1-24(22,23)20-16(11-5-3-2-4-6-11)21-10-13-12-7-8-17-15(12)18-9-14(13)19-21/h7-9,11,16,19-20H,2-6,10H2,1H3,(H,17,18)
InChIKeyFFWYDESXWYBJKP-UHFFFAOYSA-N
XLogP2.16
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide with MolForge

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Related Compounds

N-({1-[(1r,2r,4s)-Bicyclo[2.2.1]hept-2-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridin-2-Yl}methyl)methanesulfonamide
CID 66557868
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
N-[2-[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide
CID 58395401
N-[[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]methanesulfonamide
CID 71457773
3-(1-Benzyl-1h-1,2,3-Triazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridine
CID 49784217
(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720614
N-methyl-N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide
CID 24984615
N-[3-[3-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 44529745
N-[3-[3-[3-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 44529746
N-[(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)methyl]methanesulfonamide
CID 53341104
N-[2-[3-[1-(2-cyanoethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]methanesulfonamide
CID 53341463
N-[2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide
CID 54767419

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide (CID 67351520) is N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide is CS(=O)(=O)NC(C1CCCCC1)N1Cc2c(cnc3[nH]ccc23)N1.
What is the InChIKey of N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide?
The InChIKey is FFWYDESXWYBJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-24(22,23)20-16(11-5-3-2-4-6-11)21-10-13-12-7-8-17-15(12)18-9-14(13)19-21/h7-9,11,16,19-20H,2-6,10H2,1H3,(H,17,18).
What are the key properties of N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide?
N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 67351520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).