(3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide

C15H22N4O3S2 — CID 8628883

IUPAC(3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC[C@H](C(N)=O)C2)c1
InChIInChI=1S/C15H22N4O3S2/c1-18(2)24(21,22)13-7-3-6-12(9-13)17-15(23)19-8-4-5-11(10-19)14(16)20/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H2,16,20)(H,17,23)/t11-/m0/s1
InChIKeyKPFNXRCNDAQZEQ-NSHDSACASA-N
MW370.50 g/mol
LogP0.83
Rot. Bonds4

About (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide

(3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide (PubChem CID 8628883) has the molecular formula C15H22N4O3S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide
PubChem CID8628883
Molecular FormulaC15H22N4O3S2
Molecular Weight370.50 g/mol
Exact Mass370.11
IUPAC Name(3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC[C@H](C(N)=O)C2)c1
InChIInChI=1S/C15H22N4O3S2/c1-18(2)24(21,22)13-7-3-6-12(9-13)17-15(23)19-8-4-5-11(10-19)14(16)20/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H2,16,20)(H,17,23)/t11-/m0/s1
InChIKeyKPFNXRCNDAQZEQ-NSHDSACASA-N
XLogP0.83
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide
CID 8627230
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]-N-pentylpiperidine-4-carboxamide
CID 43076515
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
N-[3-(dimethylsulfamoyl)phenyl]-3-oxopiperazine-1-carbothioamide
CID 8681054
(3R)-1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628913
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 7943280
1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 42924913
(3R)-1-[(4-butylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628911

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide (CID 8628883) is (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC[C@H](C(N)=O)C2)c1.
What is the InChIKey of (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide?
The InChIKey is KPFNXRCNDAQZEQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O3S2/c1-18(2)24(21,22)13-7-3-6-12(9-13)17-15(23)19-8-4-5-11(10-19)14(16)20/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H2,16,20)(H,17,23)/t11-/m0/s1.
What are the key properties of (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide?
(3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide is sourced from PubChem (CID 8628883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).