2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine

C16H25NOS — CID 64619129

IUPAC2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Sc1cccc(OC)c1
InChIInChI=1S/C16H25NOS/c1-3-11-17-15-9-4-5-10-16(15)19-14-8-6-7-13(12-14)18-2/h6-8,12,15-17H,3-5,9-11H2,1-2H3
InChIKeyRFYIHMXWORFYOC-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.10
Rot. Bonds6

About 2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine

2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64619129) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
PubChem CID64619129
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Sc1cccc(OC)c1
InChIInChI=1S/C16H25NOS/c1-3-11-17-15-9-4-5-10-16(15)19-14-8-6-7-13(12-14)18-2/h6-8,12,15-17H,3-5,9-11H2,1-2H3
InChIKeyRFYIHMXWORFYOC-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
2-(3-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64632982
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
CID 64619900
2-(3-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
CID 43293041
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64659136
N-(2-methoxyethyl)-2-[(1R,2R)-2-(3-methoxyphenyl)sulfanylcyclohexyl]sulfanylacetamide
CID 54274321
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649741
2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64614544

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine (CID 64619129) is 2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Sc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is RFYIHMXWORFYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-11-17-15-9-4-5-10-16(15)19-14-8-6-7-13(12-14)18-2/h6-8,12,15-17H,3-5,9-11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine?
2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 4.10, 6 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-propylcyclohexan-1-amine is sourced from PubChem (CID 64619129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).