2-sulfonylcyclopentane-1-carboxamide

C6H9NO3S — CID 154127806

IUPAC2-sulfonylcyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1=S(=O)=O
InChIInChI=1S/C6H9NO3S/c7-6(8)4-2-1-3-5(4)11(9)10/h4H,1-3H2,(H2,7,8)
InChIKeyNXYRAMGDSLZSPR-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.68
Rot. Bonds1

About 2-sulfonylcyclopentane-1-carboxamide

2-sulfonylcyclopentane-1-carboxamide (PubChem CID 154127806) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-sulfonylcyclopentane-1-carboxamide
PubChem CID154127806
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name2-sulfonylcyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1=S(=O)=O
InChIInChI=1S/C6H9NO3S/c7-6(8)4-2-1-3-5(4)11(9)10/h4H,1-3H2,(H2,7,8)
InChIKeyNXYRAMGDSLZSPR-UHFFFAOYSA-N
XLogP-0.68
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 141192020
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CID 154013602
cis-(1R,3S)-3-bromo-2-oxocyclohexane-1-carboxamide
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(1S)-3-oxocyclohexane-1-carboxamide
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3-oxocyclohexane-1-carboxamide
CID 55290192
2,4-dioxo-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-9-carboxamide
CID 71019019
ethyl 2-(2,3-dioxocyclohexyl)-2-oxoacetate
CID 104539610
2-oxocyclopentane-1-carbothioic S-acid
CID 19374959
2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline-8-carboxamide;ethane
CID 143790295
methyl 2-methylidenecyclopentane-1-carboxylate
CID 557112
6-bromo-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3414756
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CID 118738009

Frequently Asked Questions

What is the IUPAC name of 2-sulfonylcyclopentane-1-carboxamide?
The IUPAC name of 2-sulfonylcyclopentane-1-carboxamide (CID 154127806) is 2-sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for 2-sulfonylcyclopentane-1-carboxamide is NC(=O)C1CCCC1=S(=O)=O.
What is the InChIKey of 2-sulfonylcyclopentane-1-carboxamide?
The InChIKey is NXYRAMGDSLZSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c7-6(8)4-2-1-3-5(4)11(9)10/h4H,1-3H2,(H2,7,8).
What are the key properties of 2-sulfonylcyclopentane-1-carboxamide?
2-sulfonylcyclopentane-1-carboxamide has a molecular weight of 175.21 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 154127806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).