4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

C16H25N3O3S — CID 6465159

IUPAC4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-7-17-16(20)18-8-10-19(11-9-18)23(21,22)15-12-13(2)5-6-14(15)3/h5-6,12H,4,7-11H2,1-3H3,(H,17,20)
InChIKeySZVHUYKAQDRGDK-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.73
Rot. Bonds4

About 4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (PubChem CID 6465159) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
PubChem CID6465159
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-7-17-16(20)18-8-10-19(11-9-18)23(21,22)15-12-13(2)5-6-14(15)3/h5-6,12H,4,7-11H2,1-3H3,(H,17,20)
InChIKeySZVHUYKAQDRGDK-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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Related Compounds

4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carbothioamide
CID 8744468
4-(2,4-dimethylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811964
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811098
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 6466224
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811980
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9496224
4-[(4-methylphenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
CID 110811156
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
4-(2-chlorophenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110812061

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (CID 6465159) is 4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of 4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The InChIKey is SZVHUYKAQDRGDK-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)15-12-13(2)5-6-14(15)3/h5-6,12H,4,7-11H2,1-3H3,(H,17,20).
What are the key properties of 4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
4-(2,5-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-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 6465159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).