4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide

C11H27N7O4S2 — CID 56636268

IUPAC4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(N(N)N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C11H27N7O4S2/c1-13(2)24(21,22)17-10-6-15(7-11-17)18(12)14-4-8-16(9-5-14)23(3,19)20/h4-12H2,1-3H3
InChIKeyKROCZAKGYDBBAG-UHFFFAOYSA-N
MW385.52 g/mol
LogP-3.01
Rot. Bonds5

About 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide

4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 56636268) has the molecular formula C11H27N7O4S2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID56636268
Molecular FormulaC11H27N7O4S2
Molecular Weight385.52 g/mol
Exact Mass385.16
IUPAC Name4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(N(N)N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C11H27N7O4S2/c1-13(2)24(21,22)17-10-6-15(7-11-17)18(12)14-4-8-16(9-5-14)23(3,19)20/h4-12H2,1-3H3
InChIKeyKROCZAKGYDBBAG-UHFFFAOYSA-N
XLogP-3.01
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 5-3.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide (CID 56636268) is 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(N(N)N2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is KROCZAKGYDBBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N7O4S2/c1-13(2)24(21,22)17-10-6-15(7-11-17)18(12)14-4-8-16(9-5-14)23(3,19)20/h4-12H2,1-3H3.
What are the key properties of 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide?
4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 385.52 g/mol, XLogP of -3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-methylsulfonylpiperazin-1-yl)amino]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 56636268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).