2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide

C9H19NO2S — CID 97109049

IUPAC2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide
SMILESCC[C@@H](CSC)N(C)C(=O)COC
InChIInChI=1S/C9H19NO2S/c1-5-8(7-13-4)10(2)9(11)6-12-3/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyLOUJSUKHRRWPPG-QMMMGPOBSA-N
MW205.32 g/mol
LogP1.23
Rot. Bonds6

About 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide

2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide (PubChem CID 97109049) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide
PubChem CID97109049
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide
SMILESCC[C@@H](CSC)N(C)C(=O)COC
InChIInChI=1S/C9H19NO2S/c1-5-8(7-13-4)10(2)9(11)6-12-3/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyLOUJSUKHRRWPPG-QMMMGPOBSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659204
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112659461
2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 75399586
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760
3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659141
3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 103224864
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate
CID 145483760
2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662748
ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate
CID 112661499

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide (CID 97109049) is 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide is CC[C@@H](CSC)N(C)C(=O)COC.
What is the InChIKey of 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide?
The InChIKey is LOUJSUKHRRWPPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-8(7-13-4)10(2)9(11)6-12-3/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide?
2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide has a molecular weight of 205.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide is sourced from PubChem (CID 97109049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).