(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

C17H25BrN2O3S — CID 41302198

IUPAC(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C17H25BrN2O3S/c1-3-5-13(2)19-17(21)14-6-4-11-20(12-14)24(22,23)16-9-7-15(18)8-10-16/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyTWVAJSKLEULZSR-ZIAGYGMSSA-N
MW417.37 g/mol
LogP3.15
Rot. Bonds6

About (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 41302198) has the molecular formula C17H25BrN2O3S and a molecular weight of 417.37 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID41302198
Molecular FormulaC17H25BrN2O3S
Molecular Weight417.37 g/mol
Exact Mass416.08
IUPAC Name(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C17H25BrN2O3S/c1-3-5-13(2)19-17(21)14-6-4-11-20(12-14)24(22,23)16-9-7-15(18)8-10-16/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyTWVAJSKLEULZSR-ZIAGYGMSSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 55508170
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46420149
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40628353
(3R)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100800595
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 24606231
(2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119028557
ethyl (3R)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxylate
CID 1345678

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (CID 41302198) is (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is TWVAJSKLEULZSR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25BrN2O3S/c1-3-5-13(2)19-17(21)14-6-4-11-20(12-14)24(22,23)16-9-7-15(18)8-10-16/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,19,21)/t13-,14-/m1/s1.
What are the key properties of (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 417.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 41302198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).