N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide

C12H25N3O2S — CID 64733123

IUPACN-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C12H25N3O2S/c1-10-7-11(2)9-12(8-10)14-18(16,17)15-5-3-13-4-6-15/h10-14H,3-9H2,1-2H3
InChIKeyGEMJOYLVQWPKSC-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.55
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide

N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide (PubChem CID 64733123) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide
PubChem CID64733123
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C12H25N3O2S/c1-10-7-11(2)9-12(8-10)14-18(16,17)15-5-3-13-4-6-15/h10-14H,3-9H2,1-2H3
InChIKeyGEMJOYLVQWPKSC-UHFFFAOYSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide (CID 64733123) is N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide is CC1CC(C)CC(NS(=O)(=O)N2CCNCC2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide?
The InChIKey is GEMJOYLVQWPKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10-7-11(2)9-12(8-10)14-18(16,17)15-5-3-13-4-6-15/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide?
N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide is sourced from PubChem (CID 64733123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).