N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide

C10H19NOS — CID 131086497

IUPACN-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide
SMILESCS[C@H]1CCCC[C@]1(C)NC(C)=O
InChIInChI=1S/C10H19NOS/c1-8(12)11-10(2)7-5-4-6-9(10)13-3/h9H,4-7H2,1-3H3,(H,11,12)/t9-,10-/m0/s1
InChIKeyQVIBWDMWSAZETP-UWVGGRQHSA-N
MW201.33 g/mol
LogP2.19
Rot. Bonds2

About N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide

N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide (PubChem CID 131086497) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide
PubChem CID131086497
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide
SMILESCS[C@H]1CCCC[C@]1(C)NC(C)=O
InChIInChI=1S/C10H19NOS/c1-8(12)11-10(2)7-5-4-6-9(10)13-3/h9H,4-7H2,1-3H3,(H,11,12)/t9-,10-/m0/s1
InChIKeyQVIBWDMWSAZETP-UWVGGRQHSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide?
The IUPAC name of N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide (CID 131086497) is N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide is CS[C@H]1CCCC[C@]1(C)NC(C)=O.
What is the InChIKey of N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide?
The InChIKey is QVIBWDMWSAZETP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8(12)11-10(2)7-5-4-6-9(10)13-3/h9H,4-7H2,1-3H3,(H,11,12)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide?
N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide has a molecular weight of 201.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide is sourced from PubChem (CID 131086497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).