N-(2-methylsulfanylcyclohexyl)acetamide

C9H17NOS — CID 12770097

IUPACN-(2-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCCCC1NC(C)=O
InChIInChI=1S/C9H17NOS/c1-7(11)10-8-5-3-4-6-9(8)12-2/h8-9H,3-6H2,1-2H3,(H,10,11)
InChIKeyUBDNCFITBKMKGC-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.80
Rot. Bonds2

About N-(2-methylsulfanylcyclohexyl)acetamide

N-(2-methylsulfanylcyclohexyl)acetamide (PubChem CID 12770097) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)acetamide
PubChem CID12770097
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-(2-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCCCC1NC(C)=O
InChIInChI=1S/C9H17NOS/c1-7(11)10-8-5-3-4-6-9(8)12-2/h8-9H,3-6H2,1-2H3,(H,10,11)
InChIKeyUBDNCFITBKMKGC-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarbamic acid, thio-, S-ethyl ester
CID 161751
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
N-cyclohexyl-2-mercaptoacetamide
CID 15730054
Butyramide, N-cyclohexyl-2-ethyl-2-ethylthio-
CID 48200
N-cyclohexyl-2-(methylsulfonyl)acetamide
CID 2806038
[2-(Cyclopentylamino)-2-oxoethyl]-dimethylsulfanium bromide
CID 118713942
2-cyclohexylsulfanyl-N-cyclopentylacetamide
CID 2374980
Propanamide, N-cyclohexyl-3-(methylthio)-
CID 10845759
N-Cyclohexyl-3-sulfanylpropanamide
CID 14618019
N-cyclohexyl-2-(trifluoromethylsulfanyl)acetamide
CID 45883954
N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide
CID 71864577

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)acetamide?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)acetamide (CID 12770097) is N-(2-methylsulfanylcyclohexyl)acetamide.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)acetamide?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)acetamide is CSC1CCCCC1NC(C)=O.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)acetamide?
The InChIKey is UBDNCFITBKMKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-7(11)10-8-5-3-4-6-9(8)12-2/h8-9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-methylsulfanylcyclohexyl)acetamide?
N-(2-methylsulfanylcyclohexyl)acetamide has a molecular weight of 187.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)acetamide is sourced from PubChem (CID 12770097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).