N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine

C14H24N2OS — CID 106926019

IUPACN-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCc1nc(SCCNCC2CCCCC2)oc1C
InChIInChI=1S/C14H24N2OS/c1-11-12(2)17-14(16-11)18-9-8-15-10-13-6-4-3-5-7-13/h13,15H,3-10H2,1-2H3
InChIKeyJZYSHARWAMUHGA-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.55
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine

N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (PubChem CID 106926019) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
PubChem CID106926019
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCc1nc(SCCNCC2CCCCC2)oc1C
InChIInChI=1S/C14H24N2OS/c1-11-12(2)17-14(16-11)18-9-8-15-10-13-6-4-3-5-7-13/h13,15H,3-10H2,1-2H3
InChIKeyJZYSHARWAMUHGA-UHFFFAOYSA-N
XLogP3.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (CID 106926019) is N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is Cc1nc(SCCNCC2CCCCC2)oc1C.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The InChIKey is JZYSHARWAMUHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-12(2)17-14(16-11)18-9-8-15-10-13-6-4-3-5-7-13/h13,15H,3-10H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 106926019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).