2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide

C11H19N3O2S — CID 106386243

IUPAC2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O2S/c1-10-4-2-3-7-14(10)17(15,16)13-9-11-5-6-12-8-11/h5-6,8,10,12-13H,2-4,7,9H2,1H3
InChIKeyOYFVGNSLDDXKHL-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.22
Rot. Bonds4

About 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide

2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106386243) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
PubChem CID106386243
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O2S/c1-10-4-2-3-7-14(10)17(15,16)13-9-11-5-6-12-8-11/h5-6,8,10,12-13H,2-4,7,9H2,1H3
InChIKeyOYFVGNSLDDXKHL-UHFFFAOYSA-N
XLogP1.22
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35288491
4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386114
(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35293436
N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 47405516
3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386158
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-1-sulfonamide
CID 79524471
(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide
CID 95322188
2-methyl-N-phenacylpiperidine-1-sulfonamide
CID 64994247
2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 51099652
2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606211
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide (CID 106386243) is 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is OYFVGNSLDDXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10-4-2-3-7-14(10)17(15,16)13-9-11-5-6-12-8-11/h5-6,8,10,12-13H,2-4,7,9H2,1H3.
What are the key properties of 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106386243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).