4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide

C15H24N4O3S2 — CID 33384848

IUPAC4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)NCCSc2ccccc2)CC1
InChIInChI=1S/C15H24N4O3S2/c1-17(2)24(21,22)19-11-9-18(10-12-19)15(20)16-8-13-23-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,16,20)
InChIKeyCSGNYZJFCJSGSZ-UHFFFAOYSA-N
MW372.52 g/mol
LogP0.91
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide

4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide (PubChem CID 33384848) has the molecular formula C15H24N4O3S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide
PubChem CID33384848
Molecular FormulaC15H24N4O3S2
Molecular Weight372.52 g/mol
Exact Mass372.13
IUPAC Name4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)NCCSc2ccccc2)CC1
InChIInChI=1S/C15H24N4O3S2/c1-17(2)24(21,22)19-11-9-18(10-12-19)15(20)16-8-13-23-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,16,20)
InChIKeyCSGNYZJFCJSGSZ-UHFFFAOYSA-N
XLogP0.91
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylsulfanylethyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 34704038
N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide
CID 33006308
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208
4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
CID 122560798
(2R)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-phenylacetamide
CID 34787872
4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
CID 125438027
(2R)-5-methylsulfonyl-N-(2-phenylsulfanylethyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 93491086
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 71782781
4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide
CID 92664129
4-(benzenesulfonyl)-N-[3-[benzyl(methyl)amino]propyl]piperazine-1-carboxamide
CID 52570185
4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide
CID 42063342
ethyl 4-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]piperazine-1-carboxylate
CID 8544935

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide (CID 33384848) is 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide is CN(C)S(=O)(=O)N1CCN(C(=O)NCCSc2ccccc2)CC1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide?
The InChIKey is CSGNYZJFCJSGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S2/c1-17(2)24(21,22)19-11-9-18(10-12-19)15(20)16-8-13-23-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,16,20).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide?
4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 33384848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).