cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine

C13H22N2OS — CID 99790713

IUPACcis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCS[C@H]1CCCC[C@H]1NCc1ncc(C)o1
InChIInChI=1S/C13H22N2OS/c1-3-17-12-7-5-4-6-11(12)14-9-13-15-8-10(2)16-13/h8,11-12,14H,3-7,9H2,1-2H3/t11-,12+/m1/s1
InChIKeyZGDRPWXZVGUTBD-NEPJUHHUSA-N
MW254.40 g/mol
LogP3.14
Rot. Bonds5

About cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine

cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 99790713) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID99790713
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Namecis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCS[C@H]1CCCC[C@H]1NCc1ncc(C)o1
InChIInChI=1S/C13H22N2OS/c1-3-17-12-7-5-4-6-11(12)14-9-13-15-8-10(2)16-13/h8,11-12,14H,3-7,9H2,1-2H3/t11-,12+/m1/s1
InChIKeyZGDRPWXZVGUTBD-NEPJUHHUSA-N
XLogP3.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepan-4-amine
CID 106369501
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 104577704
cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 124681049
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121479
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106369735
1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370549
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 99828166
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine (CID 99790713) is cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine is CCS[C@H]1CCCC[C@H]1NCc1ncc(C)o1.
What is the InChIKey of cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is ZGDRPWXZVGUTBD-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-17-12-7-5-4-6-11(12)14-9-13-15-8-10(2)16-13/h8,11-12,14H,3-7,9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 99790713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).