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

C10H19NOS — CID 112551625

IUPACN-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
SMILESCCC(CSC)N(C)C(=O)C1CC1
InChIInChI=1S/C10H19NOS/c1-4-9(7-13-3)11(2)10(12)8-5-6-8/h8-9H,4-7H2,1-3H3
InChIKeyVKJJFWVDMCTYRH-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.00
Rot. Bonds5

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

N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide (PubChem CID 112551625) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
PubChem CID112551625
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
SMILESCCC(CSC)N(C)C(=O)C1CC1
InChIInChI=1S/C10H19NOS/c1-4-9(7-13-3)11(2)10(12)8-5-6-8/h8-9H,4-7H2,1-3H3
InChIKeyVKJJFWVDMCTYRH-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 112659082
(2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
CID 103954955
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid
CID 112662788
N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
CID 115897719
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662748
3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551106
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
CID 112659221

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide (CID 112551625) is N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide is CCC(CSC)N(C)C(=O)C1CC1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide?
The InChIKey is VKJJFWVDMCTYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-9(7-13-3)11(2)10(12)8-5-6-8/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide?
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide has a molecular weight of 201.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 112551625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).