N-(1-cyclohexylethyl)piperazine-1-sulfonamide

C12H25N3O2S — CID 62407590

IUPACN-(1-cyclohexylethyl)piperazine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCNCC1)C1CCCCC1
InChIInChI=1S/C12H25N3O2S/c1-11(12-5-3-2-4-6-12)14-18(16,17)15-9-7-13-8-10-15/h11-14H,2-10H2,1H3
InChIKeyIYRWQIPQOFLJNS-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.69
Rot. Bonds4

About N-(1-cyclohexylethyl)piperazine-1-sulfonamide

N-(1-cyclohexylethyl)piperazine-1-sulfonamide (PubChem CID 62407590) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)piperazine-1-sulfonamide
PubChem CID62407590
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(1-cyclohexylethyl)piperazine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCNCC1)C1CCCCC1
InChIInChI=1S/C12H25N3O2S/c1-11(12-5-3-2-4-6-12)14-18(16,17)15-9-7-13-8-10-15/h11-14H,2-10H2,1H3
InChIKeyIYRWQIPQOFLJNS-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(1-cyclohexylethyl)piperazine-1-sulfonamide (CID 62407590) is N-(1-cyclohexylethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(1-cyclohexylethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(1-cyclohexylethyl)piperazine-1-sulfonamide is CC(NS(=O)(=O)N1CCNCC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)piperazine-1-sulfonamide?
The InChIKey is IYRWQIPQOFLJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11(12-5-3-2-4-6-12)14-18(16,17)15-9-7-13-8-10-15/h11-14H,2-10H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)piperazine-1-sulfonamide?
N-(1-cyclohexylethyl)piperazine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 62407590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).