1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide

C16H19NO3S — CID 24816514

IUPAC1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC1CC1)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C16H19NO3S/c18-15(17-12-13-8-9-13)16(10-4-5-11-16)21(19,20)14-6-2-1-3-7-14/h1-7,13H,8-12H2,(H,17,18)
InChIKeyZMLIJCOBNIOVFY-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.08
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide

1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 24816514) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide
PubChem CID24816514
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC1CC1)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C16H19NO3S/c18-15(17-12-13-8-9-13)16(10-4-5-11-16)21(19,20)14-6-2-1-3-7-14/h1-7,13H,8-12H2,(H,17,18)
InChIKeyZMLIJCOBNIOVFY-UHFFFAOYSA-N
XLogP2.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide (CID 24816514) is 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide is O=C(NCC1CC1)C1(S(=O)(=O)c2ccccc2)CC=CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is ZMLIJCOBNIOVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-15(17-12-13-8-9-13)16(10-4-5-11-16)21(19,20)14-6-2-1-3-7-14/h1-7,13H,8-12H2,(H,17,18).
What are the key properties of 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide?
1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 24816514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).