[4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine

C11H18N2OS — CID 106923820

IUPAC[4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2ncco2)C1
InChIInChI=1S/C11H18N2OS/c1-8-2-3-9(7-12)10(6-8)15-11-13-4-5-14-11/h4-5,8-10H,2-3,6-7,12H2,1H3
InChIKeyUAVDFCLJUUJIPV-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.53
Rot. Bonds3

About [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine

[4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine (PubChem CID 106923820) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine
PubChem CID106923820
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2ncco2)C1
InChIInChI=1S/C11H18N2OS/c1-8-2-3-9(7-12)10(6-8)15-11-13-4-5-14-11/h4-5,8-10H,2-3,6-7,12H2,1H3
InChIKeyUAVDFCLJUUJIPV-UHFFFAOYSA-N
XLogP2.53
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-pyrimidin-2-ylsulfanylcyclohexyl)methanamine
CID 43529986
N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927211
N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927497
(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
CID 43530146
[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexyl]methanamine
CID 43530456
[2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43530476
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43530581
[4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 60876574
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927228
4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106921050
5-methyl-3-(1,3-oxazol-2-ylsulfanyl)oxolan-2-one
CID 130978509
[2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine
CID 61382815

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine (CID 106923820) is [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine is CC1CCC(CN)C(Sc2ncco2)C1.
What is the InChIKey of [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine?
The InChIKey is UAVDFCLJUUJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-2-3-9(7-12)10(6-8)15-11-13-4-5-14-11/h4-5,8-10H,2-3,6-7,12H2,1H3.
What are the key properties of [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine?
[4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine has a molecular weight of 226.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexyl]methanamine is sourced from PubChem (CID 106923820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).