N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C14H21N3O3S — CID 2928101

IUPACN,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-12-4-6-13(7-5-12)21(19,20)17-10-8-16(9-11-17)14(18)15(2)3/h4-7H,8-11H2,1-3H3
InChIKeyPHTNQOBDVHKENQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.98
Rot. Bonds2

About N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 2928101) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID2928101
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-12-4-6-13(7-5-12)21(19,20)17-10-8-16(9-11-17)14(18)15(2)3/h4-7H,8-11H2,1-3H3
InChIKeyPHTNQOBDVHKENQ-UHFFFAOYSA-N
XLogP0.98
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4248131
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(4-(Phenylsulfonyl)piperazin-1-yl)(pyrrolidin-1-yl)methanone
CID 701243
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 2928101) is N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is PHTNQOBDVHKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-12-4-6-13(7-5-12)21(19,20)17-10-8-16(9-11-17)14(18)15(2)3/h4-7H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 2928101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).