2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide

C12H26N2O2S — CID 113494710

IUPAC2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide
SMILESCCS(=O)CCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C12H26N2O2S/c1-5-17(16)9-8-13-11(4)12(15)14-7-6-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyRHTDTIMLWCMNBR-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.90
Rot. Bonds9

About 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide

2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide (PubChem CID 113494710) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide
PubChem CID113494710
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide
SMILESCCS(=O)CCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C12H26N2O2S/c1-5-17(16)9-8-13-11(4)12(15)14-7-6-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyRHTDTIMLWCMNBR-UHFFFAOYSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide 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

2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113494695
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
N-(3-methylbutyl)-2-(3-methylsulfinylbutylamino)propanamide
CID 113490444
N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide
CID 113494724
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
(2R)-2-amino-N-(2-ethylsulfinylethyl)propanamide
CID 103796520
2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide
CID 103520462
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907
(2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide
CID 103796523
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide (CID 113494710) is 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide is CCS(=O)CCNC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide?
The InChIKey is RHTDTIMLWCMNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-17(16)9-8-13-11(4)12(15)14-7-6-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide?
2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide has a molecular weight of 262.42 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113494710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).