2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide

C14H24N4O2S — CID 63898603

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC1CN(C)CCN1C
InChIInChI=1S/C14H24N4O2S/c1-15-21(19,20)14-7-5-4-6-13(14)16-10-12-11-17(2)8-9-18(12)3/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyRKVSLBAIYQDYQC-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.25
Rot. Bonds5

About 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide

2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 63898603) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID63898603
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC1CN(C)CCN1C
InChIInChI=1S/C14H24N4O2S/c1-15-21(19,20)14-7-5-4-6-13(14)16-10-12-11-17(2)8-9-18(12)3/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyRKVSLBAIYQDYQC-UHFFFAOYSA-N
XLogP0.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 63898603) is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCC1CN(C)CCN1C.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is RKVSLBAIYQDYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-15-21(19,20)14-7-5-4-6-13(14)16-10-12-11-17(2)8-9-18(12)3/h4-7,12,15-16H,8-11H2,1-3H3.
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide?
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 63898603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).