(2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide

C9H20N2O2S — CID 103796523

IUPAC(2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide
SMILESCCS(=O)CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O2S/c1-4-14(13)6-5-11-9(12)8(10)7(2)3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-,14?/m0/s1
InChIKeyNSWHLYOFFRJEBG-BVVIDWAXSA-N
MW220.34 g/mol
LogP-0.15
Rot. Bonds6

About (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide

(2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide (PubChem CID 103796523) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide
PubChem CID103796523
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide
SMILESCCS(=O)CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O2S/c1-4-14(13)6-5-11-9(12)8(10)7(2)3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-,14?/m0/s1
InChIKeyNSWHLYOFFRJEBG-BVVIDWAXSA-N
XLogP-0.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-ethylsulfinylethyl)propanamide
CID 103796520
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2S)-2-amino-N-but-3-enyl-3-methylbutanamide
CID 104861330
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
1-(2-ethylsulfinylethyl)-3-methylurea
CID 115645018
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide
CID 103950937
(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide
CID 103796232
2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide
CID 113494710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide (CID 103796523) is (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide is CCS(=O)CCNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide?
The InChIKey is NSWHLYOFFRJEBG-BVVIDWAXSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-14(13)6-5-11-9(12)8(10)7(2)3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-,14?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide?
(2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide has a molecular weight of 220.34 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide is sourced from PubChem (CID 103796523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).