4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

C15H23N3O3S — CID 2545623

IUPAC4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-3-8-16-15(19)17-9-11-18(12-10-17)22(20,21)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,16,19)
InChIKeyXKWNOZCOPQHDHP-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.42
Rot. Bonds4

About 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (PubChem CID 2545623) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
PubChem CID2545623
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-3-8-16-15(19)17-9-11-18(12-10-17)22(20,21)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,16,19)
InChIKeyXKWNOZCOPQHDHP-UHFFFAOYSA-N
XLogP1.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (CID 2545623) is 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The InChIKey is XKWNOZCOPQHDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-8-16-15(19)17-9-11-18(12-10-17)22(20,21)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,16,19).
What are the key properties of 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 2545623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).