methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate

C8H17NO2S — CID 115898188

IUPACmethyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
SMILESCCC(CSC)N(C)C(=O)OC
InChIInChI=1S/C8H17NO2S/c1-5-7(6-12-4)9(2)8(10)11-3/h7H,5-6H2,1-4H3
InChIKeyGCHAZWUBNBOREG-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.83
Rot. Bonds4

About methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate

methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate (PubChem CID 115898188) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
PubChem CID115898188
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Namemethyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
SMILESCCC(CSC)N(C)C(=O)OC
InChIInChI=1S/C8H17NO2S/c1-5-7(6-12-4)9(2)8(10)11-3/h7H,5-6H2,1-4H3
InChIKeyGCHAZWUBNBOREG-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide
CID 97109049
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
N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112659089
3-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662758
2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662742
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
methyl 2-bromo-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoate
CID 112661543
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112659461
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659204
2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662748
(2S)-3-hydroxy-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 103955226

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate?
The IUPAC name of methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate (CID 115898188) is methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate?
The canonical SMILES for methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate is CCC(CSC)N(C)C(=O)OC.
What is the InChIKey of methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate?
The InChIKey is GCHAZWUBNBOREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-7(6-12-4)9(2)8(10)11-3/h7H,5-6H2,1-4H3.
What are the key properties of methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate?
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate has a molecular weight of 191.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate is sourced from PubChem (CID 115898188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).