N-cyclohexyl-N-pentan-2-ylethanesulfonamide

C13H27NO2S — CID 70990681

IUPACN-cyclohexyl-N-pentan-2-ylethanesulfonamide
SMILESCCCC(C)N(C1CCCCC1)S(=O)(=O)CC
InChIInChI=1S/C13H27NO2S/c1-4-9-12(3)14(17(15,16)5-2)13-10-7-6-8-11-13/h12-13H,4-11H2,1-3H3
InChIKeyWZKATTAWGHFUKD-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.16
Rot. Bonds6

About N-cyclohexyl-N-pentan-2-ylethanesulfonamide

N-cyclohexyl-N-pentan-2-ylethanesulfonamide (PubChem CID 70990681) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-cyclohexyl-N-pentan-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-pentan-2-ylethanesulfonamide
PubChem CID70990681
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-cyclohexyl-N-pentan-2-ylethanesulfonamide
SMILESCCCC(C)N(C1CCCCC1)S(=O)(=O)CC
InChIInChI=1S/C13H27NO2S/c1-4-9-12(3)14(17(15,16)5-2)13-10-7-6-8-11-13/h12-13H,4-11H2,1-3H3
InChIKeyWZKATTAWGHFUKD-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-pentan-2-ylethanesulfonamide?
The IUPAC name of N-cyclohexyl-N-pentan-2-ylethanesulfonamide (CID 70990681) is N-cyclohexyl-N-pentan-2-ylethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-pentan-2-ylethanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-pentan-2-ylethanesulfonamide is CCCC(C)N(C1CCCCC1)S(=O)(=O)CC.
What is the InChIKey of N-cyclohexyl-N-pentan-2-ylethanesulfonamide?
The InChIKey is WZKATTAWGHFUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-9-12(3)14(17(15,16)5-2)13-10-7-6-8-11-13/h12-13H,4-11H2,1-3H3.
What are the key properties of N-cyclohexyl-N-pentan-2-ylethanesulfonamide?
N-cyclohexyl-N-pentan-2-ylethanesulfonamide has a molecular weight of 261.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-pentan-2-ylethanesulfonamide is sourced from PubChem (CID 70990681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).