N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide

C13H27NO2S — CID 58689101

IUPACN-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CCC(C)C
InChIInChI=1S/C13H27NO2S/c1-4-14(13-8-6-5-7-9-13)17(15,16)11-10-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyFKZXEVQYIDPTCW-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.02
Rot. Bonds6

About N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide

N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide (PubChem CID 58689101) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide
PubChem CID58689101
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)CCC(C)C
InChIInChI=1S/C13H27NO2S/c1-4-14(13-8-6-5-7-9-13)17(15,16)11-10-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyFKZXEVQYIDPTCW-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-N-ethyl-3-methylbutane-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 N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide (CID 58689101) is N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide is CCN(C1CCCCC1)S(=O)(=O)CCC(C)C.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide?
The InChIKey is FKZXEVQYIDPTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-14(13-8-6-5-7-9-13)17(15,16)11-10-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide?
N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide has a molecular weight of 261.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 58689101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).