2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide

C13H26N2OS — CID 112659082

IUPAC2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCCC(CSC)N(C)C(=O)C1CCCCC1N
InChIInChI=1S/C13H26N2OS/c1-4-10(9-17-3)15(2)13(16)11-7-5-6-8-12(11)14/h10-12H,4-9,14H2,1-3H3
InChIKeyRPSHGHDLMVUHBS-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.10
Rot. Bonds5

About 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide

2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 112659082) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID112659082
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCCC(CSC)N(C)C(=O)C1CCCCC1N
InChIInChI=1S/C13H26N2OS/c1-4-10(9-17-3)15(2)13(16)11-7-5-6-8-12(11)14/h10-12H,4-9,14H2,1-3H3
InChIKeyRPSHGHDLMVUHBS-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 62775790
(2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
CID 103954955
2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
CID 112659221
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62783517
1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide
CID 112659192
2-amino-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62777186
2-amino-N-ethyl-N-propylcyclohexane-1-carboxamide
CID 62777516
2-amino-N-ethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 64824092
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide (CID 112659082) is 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide is CCC(CSC)N(C)C(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is RPSHGHDLMVUHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-10(9-17-3)15(2)13(16)11-7-5-6-8-12(11)14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide?
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112659082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).