N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide

C11H18N2O3S — CID 62519995

IUPACN-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C11H18N2O3S/c1-13-7-4-10(8-13)17(15,16)12-11(9-14)5-2-3-6-11/h4,7-8,12,14H,2-3,5-6,9H2,1H3
InChIKeyZIROXMZNNFTLEX-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.61
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide

N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide (PubChem CID 62519995) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide
PubChem CID62519995
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C11H18N2O3S/c1-13-7-4-10(8-13)17(15,16)12-11(9-14)5-2-3-6-11/h4,7-8,12,14H,2-3,5-6,9H2,1H3
InChIKeyZIROXMZNNFTLEX-UHFFFAOYSA-N
XLogP0.61
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide (CID 62519995) is N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NC2(CO)CCCC2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide?
The InChIKey is ZIROXMZNNFTLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13-7-4-10(8-13)17(15,16)12-11(9-14)5-2-3-6-11/h4,7-8,12,14H,2-3,5-6,9H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide?
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 62519995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).