N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine

C14H24N2OS — CID 106927660

IUPACN-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Sc2nc(C)co2)C1
InChIInChI=1S/C14H24N2OS/c1-4-5-11-6-7-12(15-3)13(8-11)18-14-16-10(2)9-17-14/h9,11-13,15H,4-8H2,1-3H3
InChIKeyWWEFYAIFNYQXGQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.63
Rot. Bonds5

About N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine

N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine (PubChem CID 106927660) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine
PubChem CID106927660
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Sc2nc(C)co2)C1
InChIInChI=1S/C14H24N2OS/c1-4-5-11-6-7-12(15-3)13(8-11)18-14-16-10(2)9-17-14/h9,11-13,15H,4-8H2,1-3H3
InChIKeyWWEFYAIFNYQXGQ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine (CID 106927660) is N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(Sc2nc(C)co2)C1.
What is the InChIKey of N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine?
The InChIKey is WWEFYAIFNYQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-5-11-6-7-12(15-3)13(8-11)18-14-16-10(2)9-17-14/h9,11-13,15H,4-8H2,1-3H3.
What are the key properties of N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine?
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 106927660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).