[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine

C12H21N3O2S — CID 79612105

IUPAC[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
SMILESCS(=O)(=O)N1CCCC(Cn2cccc2CN)C1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)15-7-2-4-11(10-15)9-14-6-3-5-12(14)8-13/h3,5-6,11H,2,4,7-10,13H2,1H3
InChIKeyGNJTXGVFSLRHRO-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.62
Rot. Bonds4

About [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine

[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine (PubChem CID 79612105) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
PubChem CID79612105
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
SMILESCS(=O)(=O)N1CCCC(Cn2cccc2CN)C1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)15-7-2-4-11(10-15)9-14-6-3-5-12(14)8-13/h3,5-6,11H,2,4,7-10,13H2,1H3
InChIKeyGNJTXGVFSLRHRO-UHFFFAOYSA-N
XLogP0.62
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrole-2-carbothioamide
CID 114653800
[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine
CID 79623257
1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine
CID 114935740
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116620114
4-bromo-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116626214
4-(1-methylsulfonylpiperidin-3-yl)-2-phenylbutan-1-amine
CID 81011290
5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116623347
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 79610232
5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one
CID 79611479
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 79611507
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine?
The IUPAC name of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine (CID 79612105) is [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine?
The canonical SMILES for [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine is CS(=O)(=O)N1CCCC(Cn2cccc2CN)C1.
What is the InChIKey of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine?
The InChIKey is GNJTXGVFSLRHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-18(16,17)15-7-2-4-11(10-15)9-14-6-3-5-12(14)8-13/h3,5-6,11H,2,4,7-10,13H2,1H3.
What are the key properties of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine?
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine has a molecular weight of 271.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 79612105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).