N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide

C11H21NOS — CID 131884719

IUPACN-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
SMILESCS[C@@H]1CCCCCC[C@H]1NC(C)=O
InChIInChI=1S/C11H21NOS/c1-9(13)12-10-7-5-3-4-6-8-11(10)14-2/h10-11H,3-8H2,1-2H3,(H,12,13)/t10-,11-/m1/s1
InChIKeyAQHIHYPOOGGQPZ-GHMZBOCLSA-N
MW215.36 g/mol
LogP2.58
Rot. Bonds2

About N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide

N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide (PubChem CID 131884719) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
PubChem CID131884719
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
SMILESCS[C@@H]1CCCCCC[C@H]1NC(C)=O
InChIInChI=1S/C11H21NOS/c1-9(13)12-10-7-5-3-4-6-8-11(10)14-2/h10-11H,3-8H2,1-2H3,(H,12,13)/t10-,11-/m1/s1
InChIKeyAQHIHYPOOGGQPZ-GHMZBOCLSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-(2-methylsulfanylcyclohexyl)but-2-enamide
CID 103683381
N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
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N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253
2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
CID 103843972
3-amino-N-(2-methylsulfanylcyclohexyl)butanamide
CID 103812043
3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104939046
3-[methyl-[[(1S,2S)-2-methylsulfanylcyclohexyl]carbamoyl]amino]propanoic acid
CID 122015188
cis-(1R,3S)-3-[(2-methylsulfanylcyclohexyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320449
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide (CID 131884719) is N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide is CS[C@@H]1CCCCCC[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide?
The InChIKey is AQHIHYPOOGGQPZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9(13)12-10-7-5-3-4-6-8-11(10)14-2/h10-11H,3-8H2,1-2H3,(H,12,13)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide?
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide has a molecular weight of 215.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide is sourced from PubChem (CID 131884719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).