N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide

C13H21N3O2S — CID 1259068

IUPACN,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide
SMILESCc1ccccc1N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H21N3O2S/c1-12-6-4-5-7-13(12)15-8-10-16(11-9-15)19(17,18)14(2)3/h4-7H,8-11H2,1-3H3
InChIKeyLKBZBPWDEJHOGP-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.92
Rot. Bonds3

About N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide (PubChem CID 1259068) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide
PubChem CID1259068
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide
SMILESCc1ccccc1N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H21N3O2S/c1-12-6-4-5-7-13(12)15-8-10-16(11-9-15)19(17,18)14(2)3/h4-7H,8-11H2,1-3H3
InChIKeyLKBZBPWDEJHOGP-UHFFFAOYSA-N
XLogP0.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide (CID 1259068) is N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide is Cc1ccccc1N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide?
The InChIKey is LKBZBPWDEJHOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-12-6-4-5-7-13(12)15-8-10-16(11-9-15)19(17,18)14(2)3/h4-7H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methylphenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 1259068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).