N-(2-aminocyclohexyl)butane-2-sulfonamide

C10H22N2O2S — CID 66808462

IUPACN-(2-aminocyclohexyl)butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C10H22N2O2S/c1-3-8(2)15(13,14)12-10-7-5-4-6-9(10)11/h8-10,12H,3-7,11H2,1-2H3
InChIKeyMDIMPIFSSPULDT-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.97
Rot. Bonds4

About N-(2-aminocyclohexyl)butane-2-sulfonamide

N-(2-aminocyclohexyl)butane-2-sulfonamide (PubChem CID 66808462) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)butane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)butane-2-sulfonamide
PubChem CID66808462
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(2-aminocyclohexyl)butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C10H22N2O2S/c1-3-8(2)15(13,14)12-10-7-5-4-6-9(10)11/h8-10,12H,3-7,11H2,1-2H3
InChIKeyMDIMPIFSSPULDT-UHFFFAOYSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)butane-2-sulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)butane-2-sulfonamide (CID 66808462) is N-(2-aminocyclohexyl)butane-2-sulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)butane-2-sulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)butane-2-sulfonamide is CCC(C)S(=O)(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)butane-2-sulfonamide?
The InChIKey is MDIMPIFSSPULDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-8(2)15(13,14)12-10-7-5-4-6-9(10)11/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)butane-2-sulfonamide?
N-(2-aminocyclohexyl)butane-2-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)butane-2-sulfonamide is sourced from PubChem (CID 66808462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).