[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone

C16H21NO3S — CID 23854238

IUPAC[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C16H21NO3S/c18-15(17-12-6-7-13-17)16(10-4-5-11-16)21(19,20)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2
InChIKeyYVOCSVXERIRFBG-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.40
Rot. Bonds3

About [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone

[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone (PubChem CID 23854238) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
PubChem CID23854238
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C16H21NO3S/c18-15(17-12-6-7-13-17)16(10-4-5-11-16)21(19,20)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2
InChIKeyYVOCSVXERIRFBG-UHFFFAOYSA-N
XLogP2.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone (CID 23854238) is [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)C1(S(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YVOCSVXERIRFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c18-15(17-12-6-7-13-17)16(10-4-5-11-16)21(19,20)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2.
What are the key properties of [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone?
[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone has a molecular weight of 307.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 23854238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).