N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide

C10H16N2O3S — CID 62519994

IUPACN-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1cc[nH]c1
InChIInChI=1S/C10H16N2O3S/c13-8-10(4-1-2-5-10)12-16(14,15)9-3-6-11-7-9/h3,6-7,11-13H,1-2,4-5,8H2
InChIKeyVDUBRCGWOUZIRF-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.60
Rot. Bonds4

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

N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide (PubChem CID 62519994) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide
PubChem CID62519994
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1cc[nH]c1
InChIInChI=1S/C10H16N2O3S/c13-8-10(4-1-2-5-10)12-16(14,15)9-3-6-11-7-9/h3,6-7,11-13H,1-2,4-5,8H2
InChIKeyVDUBRCGWOUZIRF-UHFFFAOYSA-N
XLogP0.60
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide (CID 62519994) is N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide is O=S(=O)(NC1(CO)CCCC1)c1cc[nH]c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is VDUBRCGWOUZIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-8-10(4-1-2-5-10)12-16(14,15)9-3-6-11-7-9/h3,6-7,11-13H,1-2,4-5,8H2.
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide?
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 62519994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).