1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide

C15H22N4O3S2 — CID 8627230

IUPAC1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H22N4O3S2/c1-18(2)24(21,22)13-5-3-4-12(10-13)17-15(23)19-8-6-11(7-9-19)14(16)20/h3-5,10-11H,6-9H2,1-2H3,(H2,16,20)(H,17,23)
InChIKeyIQHUFPLZQUVICH-UHFFFAOYSA-N
MW370.50 g/mol
LogP0.83
Rot. Bonds4

About 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide

1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide (PubChem CID 8627230) has the molecular formula C15H22N4O3S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide
PubChem CID8627230
Molecular FormulaC15H22N4O3S2
Molecular Weight370.50 g/mol
Exact Mass370.11
IUPAC Name1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H22N4O3S2/c1-18(2)24(21,22)13-5-3-4-12(10-13)17-15(23)19-8-6-11(7-9-19)14(16)20/h3-5,10-11H,6-9H2,1-2H3,(H2,16,20)(H,17,23)
InChIKeyIQHUFPLZQUVICH-UHFFFAOYSA-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

(3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide
CID 8628883
1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]-N-pentylpiperidine-4-carboxamide
CID 43076515
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
N-[3-(dimethylsulfamoyl)phenyl]-3-oxopiperazine-1-carbothioamide
CID 8681054
N-[3-(dimethylsulfamoyl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 42992929
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 8627240
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 24687063
1-[(3,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 800272
1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 27260946
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
CID 8660201

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide (CID 8627230) is 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide?
The InChIKey is IQHUFPLZQUVICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S2/c1-18(2)24(21,22)13-5-3-4-12(10-13)17-15(23)19-8-6-11(7-9-19)14(16)20/h3-5,10-11H,6-9H2,1-2H3,(H2,16,20)(H,17,23).
What are the key properties of 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide?
1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-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 1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-4-carboxamide is sourced from PubChem (CID 8627230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).