3-(2-methoxyphenyl)sulfanylbutan-1-amine

C11H17NOS — CID 61291883

IUPAC3-(2-methoxyphenyl)sulfanylbutan-1-amine
SMILESCOc1ccccc1SC(C)CCN
InChIInChI=1S/C11H17NOS/c1-9(7-8-12)14-11-6-4-3-5-10(11)13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKeyHJYKPIWKDZMPQS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.52
Rot. Bonds5

About 3-(2-methoxyphenyl)sulfanylbutan-1-amine

3-(2-methoxyphenyl)sulfanylbutan-1-amine (PubChem CID 61291883) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)sulfanylbutan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)sulfanylbutan-1-amine
PubChem CID61291883
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-(2-methoxyphenyl)sulfanylbutan-1-amine
SMILESCOc1ccccc1SC(C)CCN
InChIInChI=1S/C11H17NOS/c1-9(7-8-12)14-11-6-4-3-5-10(11)13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKeyHJYKPIWKDZMPQS-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-5-methylphenyl)sulfanylbutan-1-amine
CID 117032659
3-(2-methoxyphenyl)sulfanylbutanimidamide
CID 61291684
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
2-(2-methoxyphenyl)sulfanyl-N-prop-2-ynylpropan-1-amine
CID 62579755
2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64626925
3-[(2-methoxy-5-methylphenyl)methylsulfanyl]butan-1-amine
CID 66228621
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
3-(2,3-dimethoxyphenoxy)butan-1-amine
CID 112508081
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
4-(2-methoxyphenoxy)pentan-1-amine
CID 62460101
1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene
CID 54020197
(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylbutanoic acid
CID 67266710

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)sulfanylbutan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)sulfanylbutan-1-amine (CID 61291883) is 3-(2-methoxyphenyl)sulfanylbutan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)sulfanylbutan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)sulfanylbutan-1-amine is COc1ccccc1SC(C)CCN.
What is the InChIKey of 3-(2-methoxyphenyl)sulfanylbutan-1-amine?
The InChIKey is HJYKPIWKDZMPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(7-8-12)14-11-6-4-3-5-10(11)13-2/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)sulfanylbutan-1-amine?
3-(2-methoxyphenyl)sulfanylbutan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)sulfanylbutan-1-amine is sourced from PubChem (CID 61291883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).