(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide

C8H18N2OS — CID 61154496

IUPAC(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
SMILESCCN(C)C(=O)[C@@H](N)CCSC
InChIInChI=1S/C8H18N2OS/c1-4-10(2)8(11)7(9)5-6-12-3/h7H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyDAISWLQILUVNTN-ZETCQYMHSA-N
MW190.31 g/mol
LogP0.55
Rot. Bonds5

About (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide (PubChem CID 61154496) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
PubChem CID61154496
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
SMILESCCN(C)C(=O)[C@@H](N)CCSC
InChIInChI=1S/C8H18N2OS/c1-4-10(2)8(11)7(9)5-6-12-3/h7H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyDAISWLQILUVNTN-ZETCQYMHSA-N
XLogP0.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
CID 103795919
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 63693500
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 172908207
CID 172908207
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide (CID 61154496) is (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide is CCN(C)C(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is DAISWLQILUVNTN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-4-10(2)8(11)7(9)5-6-12-3/h7H,4-6,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 190.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 61154496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).