N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide

C11H20N2O2S — CID 94157809

IUPACN-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C11H20N2O2S/c1-8-5-3-4-6-9(8)12-11(15)13-10(14)7-16-2/h8-9H,3-7H2,1-2H3,(H2,12,13,14,15)/t8-,9+/m1/s1
InChIKeyFBGQMKDSBOEKOF-BDAKNGLRSA-N
MW244.36 g/mol
LogP1.75
Rot. Bonds3

About N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide

N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide (PubChem CID 94157809) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
PubChem CID94157809
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C11H20N2O2S/c1-8-5-3-4-6-9(8)12-11(15)13-10(14)7-16-2/h8-9H,3-7H2,1-2H3,(H2,12,13,14,15)/t8-,9+/m1/s1
InChIKeyFBGQMKDSBOEKOF-BDAKNGLRSA-N
XLogP1.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide
CID 154607680
3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
CID 63279383
N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706857
2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 60616778
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 9318254
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 11924446
2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 100907056
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
N-[(2-methylcyclohexyl)carbamoyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677252
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8508062
2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 126802183
2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 125419977

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide (CID 94157809) is N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide is CSCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide?
The InChIKey is FBGQMKDSBOEKOF-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8-5-3-4-6-9(8)12-11(15)13-10(14)7-16-2/h8-9H,3-7H2,1-2H3,(H2,12,13,14,15)/t8-,9+/m1/s1.
What are the key properties of N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide?
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide has a molecular weight of 244.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 94157809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).