N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide

C10H19NOS — CID 12770121

IUPACN-(1-methyl-2-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCCCC1(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)
InChIKeyQVIBWDMWSAZETP-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.19
Rot. Bonds2

About N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide

N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide (PubChem CID 12770121) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-2-methylsulfanylcyclohexyl)acetamide
PubChem CID12770121
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(1-methyl-2-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCCCC1(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)
InChIKeyQVIBWDMWSAZETP-UHFFFAOYSA-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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Related Compounds

3-methylsulfanyl-N-(2,4,4-trimethylhexan-2-yl)propanamide
CID 89291169
N-(1-cyanocyclohexyl)-2-methylsulfanylacetamide
CID 47131457
N-(1-cyanocyclohexyl)-3-methylsulfanylpropanamide
CID 60704816
N-(1-methylcyclohexyl)-2-sulfanylacetamide
CID 65627015
2-(2-amino-2-methylpropyl)sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 66230907
N-(1-methylcyclohexyl)-2-sulfanylpropanamide
CID 107027312
N-(1-methylcyclohexyl)-3-sulfanylpropanamide
CID 107027315
N-[1-(bromomethyl)cyclohexyl]-3-methylsulfanylpropanamide
CID 114314138
N-[1-(bromomethyl)cyclohexyl]-2-methylsulfanylacetamide
CID 114314233
N-[(1S,2S)-1-methyl-2-methylsulfanylcyclohexyl]acetamide
CID 131086497
N-(1-methylcyclopentyl)-2-methylsulfanylacetamide
CID 131154660

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide?
The IUPAC name of N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide (CID 12770121) is N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide.
What is the SMILES notation for N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide?
The canonical SMILES for N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide is CSC1CCCCC1(C)NC(C)=O.
What is the InChIKey of N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide?
The InChIKey is QVIBWDMWSAZETP-UHFFFAOYSA-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).
What are the key properties of N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide?
N-(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-(1-methyl-2-methylsulfanylcyclohexyl)acetamide is sourced from PubChem (CID 12770121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).