(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide

C14H19BrN2O3S — CID 41447080

IUPAC(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O3S/c1-2-21(19,20)17-8-4-5-11(10-17)14(18)16-13-7-3-6-12(15)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyYFJZSKMZCMFREO-LLVKDONJSA-N
MW375.29 g/mol
LogP2.45
Rot. Bonds4

About (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide

(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 41447080) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID41447080
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C14H19BrN2O3S/c1-2-21(19,20)17-8-4-5-11(10-17)14(18)16-13-7-3-6-12(15)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyYFJZSKMZCMFREO-LLVKDONJSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
(3S)-1-benzylsulfonyl-N-(3-bromophenyl)piperidine-3-carboxamide
CID 92641267
N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863431
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412
N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862481
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
(3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39033321
ethyl 4-[(3S)-3-[(3-bromophenyl)carbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate
CID 92715043
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
(3S)-N-(3-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302430

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide (CID 41447080) is (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1.
What is the InChIKey of (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is YFJZSKMZCMFREO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-2-21(19,20)17-8-4-5-11(10-17)14(18)16-13-7-3-6-12(15)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 375.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41447080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).