(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide

C16H25N3O3S2 — CID 93487559

IUPAC(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O3S2/c1-4-23-15-10-6-5-9-14(15)17-16(20)13-8-7-11-19(12-13)24(21,22)18(2)3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyWBRBSZFXPHQGFO-ZDUSSCGKSA-N
MW371.53 g/mol
LogP2.26
Rot. Bonds6

About (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide

(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide (PubChem CID 93487559) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
PubChem CID93487559
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC Name(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O3S2/c1-4-23-15-10-6-5-9-14(15)17-16(20)13-8-7-11-19(12-13)24(21,22)18(2)3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyWBRBSZFXPHQGFO-ZDUSSCGKSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 99951546
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
(3R)-N-(2-ethylsulfanylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669876
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982
(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94013191
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 46763501
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
(3S)-1-(dimethylsulfamoyl)-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 30386842

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide (CID 93487559) is (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide is CCSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
The InChIKey is WBRBSZFXPHQGFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-4-23-15-10-6-5-9-14(15)17-16(20)13-8-7-11-19(12-13)24(21,22)18(2)3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93487559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).