1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide

C15H21BrN2O3S2 — CID 3551079

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H21BrN2O3S2/c16-13-5-6-14(22-13)23(20,21)18-9-7-11(8-10-18)15(19)17-12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H,17,19)
InChIKeyQSBSNXFYWZMDAV-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.97
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 3551079) has the molecular formula C15H21BrN2O3S2 and a molecular weight of 421.38 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
PubChem CID3551079
Molecular FormulaC15H21BrN2O3S2
Molecular Weight421.38 g/mol
Exact Mass420.02
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H21BrN2O3S2/c16-13-5-6-14(22-13)23(20,21)18-9-7-11(8-10-18)15(19)17-12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H,17,19)
InChIKeyQSBSNXFYWZMDAV-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide (CID 3551079) is 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is QSBSNXFYWZMDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S2/c16-13-5-6-14(22-13)23(20,21)18-9-7-11(8-10-18)15(19)17-12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H,17,19).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 3551079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).