(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide

C15H19BrN2O3S — CID 41302436

IUPAC(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H19BrN2O3S/c16-12-3-7-14(8-4-12)22(20,21)18-9-1-2-11(10-18)15(19)17-13-5-6-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,17,19)/t11-/m1/s1
InChIKeyRRCFQQYAUXVMCW-LLVKDONJSA-N
MW387.30 g/mol
LogP2.13
Rot. Bonds4

About (3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide

(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 41302436) has the molecular formula C15H19BrN2O3S and a molecular weight of 387.30 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
PubChem CID41302436
Molecular FormulaC15H19BrN2O3S
Molecular Weight387.30 g/mol
Exact Mass386.03
IUPAC Name(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H19BrN2O3S/c16-12-3-7-14(8-4-12)22(20,21)18-9-1-2-11(10-18)15(19)17-13-5-6-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,17,19)/t11-/m1/s1
InChIKeyRRCFQQYAUXVMCW-LLVKDONJSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 24606231
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861824
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198
(3R)-1-(4-bromophenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 126380948
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide (CID 41302436) is (3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is RRCFQQYAUXVMCW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19BrN2O3S/c16-12-3-7-14(8-4-12)22(20,21)18-9-1-2-11(10-18)15(19)17-13-5-6-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,17,19)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide?
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 387.30 g/mol, XLogP of 2.13, 4 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-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 41302436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).