N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine

C11H25NO2S — CID 63926903

IUPACN-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
SMILESCCS(=O)(=O)CCNC(C)CCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-15(13,14)9-8-12-11(4)7-6-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyDYRGWARTCGPRNG-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine

N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine (PubChem CID 63926903) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
PubChem CID63926903
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
SMILESCCS(=O)(=O)CCNC(C)CCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-15(13,14)9-8-12-11(4)7-6-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyDYRGWARTCGPRNG-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide
CID 106335163
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932
3-(2-propylsulfonylethylamino)butan-1-ol
CID 106724270
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 63926727
1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
CID 107760352
N-(3-ethylsulfonylpropyl)heptan-2-amine
CID 65093312
1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine
CID 115716483
N-ethyl-5-methylhexan-2-amine
CID 24689543
4-[2-(5-methylhexan-2-ylamino)ethylsulfonyl]benzonitrile
CID 79591977
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine (CID 63926903) is N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine is CCS(=O)(=O)CCNC(C)CCC(C)C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine?
The InChIKey is DYRGWARTCGPRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-15(13,14)9-8-12-11(4)7-6-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine?
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine is sourced from PubChem (CID 63926903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).