N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine

C14H24N2OS — CID 106925951

IUPACN-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine
SMILESCc1nc(SCCNC2CCCC(C)C2)oc1C
InChIInChI=1S/C14H24N2OS/c1-10-5-4-6-13(9-10)15-7-8-18-14-16-11(2)12(3)17-14/h10,13,15H,4-9H2,1-3H3
InChIKeyKWJBCGZPUFCGDR-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.55
Rot. Bonds5

About N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine

N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine (PubChem CID 106925951) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine
PubChem CID106925951
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine
SMILESCc1nc(SCCNC2CCCC(C)C2)oc1C
InChIInChI=1S/C14H24N2OS/c1-10-5-4-6-13(9-10)15-7-8-18-14-16-11(2)12(3)17-14/h10,13,15H,4-9H2,1-3H3
InChIKeyKWJBCGZPUFCGDR-UHFFFAOYSA-N
XLogP3.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine (CID 106925951) is N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine is Cc1nc(SCCNC2CCCC(C)C2)oc1C.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is KWJBCGZPUFCGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10-5-4-6-13(9-10)15-7-8-18-14-16-11(2)12(3)17-14/h10,13,15H,4-9H2,1-3H3.
What are the key properties of N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine?
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 106925951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).