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

C15H23N3O3S — CID 969555

IUPAC4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1C
InChIInChI=1S/C15H23N3O3S/c1-12-5-6-14(11-13(12)2)22(20,21)18-9-7-17(8-10-18)15(19)16(3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyIXKAYJVCMUDJMW-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.29
Rot. Bonds2

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

4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 969555) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide
PubChem CID969555
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1C
InChIInChI=1S/C15H23N3O3S/c1-12-5-6-14(11-13(12)2)22(20,21)18-9-7-17(8-10-18)15(19)16(3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyIXKAYJVCMUDJMW-UHFFFAOYSA-N
XLogP1.29
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide (CID 969555) is 4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is IXKAYJVCMUDJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-5-6-14(11-13(12)2)22(20,21)18-9-7-17(8-10-18)15(19)16(3)4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide?
4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 969555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).