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

C11H19N3O2S — CID 106386114

IUPAC4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCc2cc[nH]c2)CC1
InChIInChI=1S/C11H19N3O2S/c1-10-3-6-14(7-4-10)17(15,16)13-9-11-2-5-12-8-11/h2,5,8,10,12-13H,3-4,6-7,9H2,1H3
InChIKeyKOLRGXMSLFUCCM-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.08
Rot. Bonds4

About 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide

4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106386114) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
PubChem CID106386114
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCc2cc[nH]c2)CC1
InChIInChI=1S/C11H19N3O2S/c1-10-3-6-14(7-4-10)17(15,16)13-9-11-2-5-12-8-11/h2,5,8,10,12-13H,3-4,6-7,9H2,1H3
InChIKeyKOLRGXMSLFUCCM-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386158
2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386243
N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide
CID 169029487
4-[[[(3R)-3-methylpyrrolidin-1-yl]sulfonylamino]methyl]benzoic acid
CID 129466996
ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 47062228
N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 177223077
1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769091
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43550340
4-methyl-N-(2-piperazin-1-ylethyl)piperidine-1-sulfonamide;dihydrochloride
CID 119966686
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 51121961
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
CID 119976296

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide (CID 106386114) is 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCc2cc[nH]c2)CC1.
What is the InChIKey of 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is KOLRGXMSLFUCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10-3-6-14(7-4-10)17(15,16)13-9-11-2-5-12-8-11/h2,5,8,10,12-13H,3-4,6-7,9H2,1H3.
What are the key properties of 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide?
4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106386114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).