N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine

C14H24N2O2S — CID 79103503

IUPACN-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(CCS(C)(=O)=O)c1)C1CC1
InChIInChI=1S/C14H24N2O2S/c1-3-7-15-14(12-4-5-12)13-6-8-16(11-13)9-10-19(2,17)18/h6,8,11-12,14-15H,3-5,7,9-10H2,1-2H3
InChIKeyLGCFTYOCOKJGAX-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.98
Rot. Bonds8

About N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine

N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 79103503) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
PubChem CID79103503
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccn(CCS(C)(=O)=O)c1)C1CC1
InChIInChI=1S/C14H24N2O2S/c1-3-7-15-14(12-4-5-12)13-6-8-16(11-13)9-10-19(2,17)18/h6,8,11-12,14-15H,3-5,7,9-10H2,1-2H3
InChIKeyLGCFTYOCOKJGAX-UHFFFAOYSA-N
XLogP1.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-[1-(2-propan-2-ylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 106717799
N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103596
4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79103501
2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79103165
N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79099233
N-[cyclopropyl-[1-[3-(oxolan-2-yl)propyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099642
N-[cyclopropyl-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103691
N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099232
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566
methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
CID 79103936
2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine
CID 106717790

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine (CID 79103503) is N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine is CCCNC(c1ccn(CCS(C)(=O)=O)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is LGCFTYOCOKJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-7-15-14(12-4-5-12)13-6-8-16(11-13)9-10-19(2,17)18/h6,8,11-12,14-15H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine?
N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 284.43 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79103503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).