3-(3-methoxyphenyl)sulfanylpentan-1-amine

C12H19NOS — CID 43530332

IUPAC3-(3-methoxyphenyl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1cccc(OC)c1
InChIInChI=1S/C12H19NOS/c1-3-11(7-8-13)15-12-6-4-5-10(9-12)14-2/h4-6,9,11H,3,7-8,13H2,1-2H3
InChIKeyFPMXETVCLUCEQL-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.91
Rot. Bonds6

About 3-(3-methoxyphenyl)sulfanylpentan-1-amine

3-(3-methoxyphenyl)sulfanylpentan-1-amine (PubChem CID 43530332) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)sulfanylpentan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)sulfanylpentan-1-amine
PubChem CID43530332
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-(3-methoxyphenyl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1cccc(OC)c1
InChIInChI=1S/C12H19NOS/c1-3-11(7-8-13)15-12-6-4-5-10(9-12)14-2/h4-6,9,11H,3,7-8,13H2,1-2H3
InChIKeyFPMXETVCLUCEQL-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)sulfanylpentanenitrile
CID 43368430
3-(3-chlorophenyl)sulfanylpentan-1-amine
CID 62645784
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
CID 55015465
1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
CID 64813407
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
N-[2-(3-methoxyphenyl)sulfanylpropyl]-3-methylbutan-1-amine
CID 62582786
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine
CID 64621459

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)sulfanylpentan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)sulfanylpentan-1-amine (CID 43530332) is 3-(3-methoxyphenyl)sulfanylpentan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)sulfanylpentan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)sulfanylpentan-1-amine is CCC(CCN)Sc1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxyphenyl)sulfanylpentan-1-amine?
The InChIKey is FPMXETVCLUCEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-11(7-8-13)15-12-6-4-5-10(9-12)14-2/h4-6,9,11H,3,7-8,13H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)sulfanylpentan-1-amine?
3-(3-methoxyphenyl)sulfanylpentan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)sulfanylpentan-1-amine is sourced from PubChem (CID 43530332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).