4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

C16H25N3O3S — CID 2225304

IUPAC4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-7-17-16(20)18-8-10-19(11-9-18)23(21,22)15-6-5-13(2)14(3)12-15/h5-6,12H,4,7-11H2,1-3H3,(H,17,20)
InChIKeyYDOAIQSWEFKRHP-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.73
Rot. Bonds4

About 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (PubChem CID 2225304) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
PubChem CID2225304
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-7-17-16(20)18-8-10-19(11-9-18)23(21,22)15-6-5-13(2)14(3)12-15/h5-6,12H,4,7-11H2,1-3H3,(H,17,20)
InChIKeyYDOAIQSWEFKRHP-UHFFFAOYSA-N
XLogP1.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (CID 2225304) is 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The InChIKey is YDOAIQSWEFKRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-7-17-16(20)18-8-10-19(11-9-18)23(21,22)15-6-5-13(2)14(3)12-15/h5-6,12H,4,7-11H2,1-3H3,(H,17,20).
What are the key properties of 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 2225304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).