(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide

C15H21BrN2O3S — CID 51962204

IUPAC(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-2-11-22(20,21)18-10-4-3-5-14(18)15(19)17-13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyVVZWNWQWLXBVKT-AWEZNQCLSA-N
MW389.32 g/mol
LogP2.98
Rot. Bonds5

About (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide

(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 51962204) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID51962204
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-2-11-22(20,21)18-10-4-3-5-14(18)15(19)17-13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyVVZWNWQWLXBVKT-AWEZNQCLSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide
CID 47074748
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491129
N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 86920866
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24617132
N-[4-(1H-imidazol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 60613372
methyl 2-[[2-[4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55880512

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide (CID 51962204) is (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is VVZWNWQWLXBVKT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-2-11-22(20,21)18-10-4-3-5-14(18)15(19)17-13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide?
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 389.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 51962204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).