2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine

C16H25NOS — CID 64737540

IUPAC2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1cccc(OC)c1
InChIInChI=1S/C16H25NOS/c1-11-8-12(2)16(15(9-11)17-3)19-14-7-5-6-13(10-14)18-4/h5-7,10-12,15-17H,8-9H2,1-4H3
InChIKeyRJKCZSSDDUCCJR-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.81
Rot. Bonds4

About 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine

2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64737540) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64737540
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1cccc(OC)c1
InChIInChI=1S/C16H25NOS/c1-11-8-12(2)16(15(9-11)17-3)19-14-7-5-6-13(10-14)18-4/h5-7,10-12,15-17H,8-9H2,1-4H3
InChIKeyRJKCZSSDDUCCJR-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine (CID 64737540) is 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1Sc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is RJKCZSSDDUCCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-11-8-12(2)16(15(9-11)17-3)19-14-7-5-6-13(10-14)18-4/h5-7,10-12,15-17H,8-9H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64737540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).