N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide

C9H18N2OS — CID 93452012

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C9H18N2OS/c1-13-6-9(12)11-8-5-3-2-4-7(8)10/h7-8H,2-6,10H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyYANJMCBOFZNLHV-HTQZYQBOSA-N
MW202.32 g/mol
LogP0.74
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide

N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide (PubChem CID 93452012) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
PubChem CID93452012
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C9H18N2OS/c1-13-6-9(12)11-8-5-3-2-4-7(8)10/h7-8H,2-6,10H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyYANJMCBOFZNLHV-HTQZYQBOSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)propanamide
CID 61036997
N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide
CID 106366717
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CID 130622235
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
CID 93451955
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
CID 94547428
N-(2-aminocyclopentyl)-2-cyclohexylacetamide
CID 63251405
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
CID 103805745
N-(2-aminocyclohexyl)-3-methoxy-3-methylbutanamide
CID 103021379

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide (CID 93452012) is N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide is CSCC(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide?
The InChIKey is YANJMCBOFZNLHV-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-13-6-9(12)11-8-5-3-2-4-7(8)10/h7-8H,2-6,10H2,1H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide has a molecular weight of 202.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 93452012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).