3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine

C12H19NOS — CID 64621459

IUPAC3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine
SMILESCNC(C)C(C)Sc1cccc(OC)c1
InChIInChI=1S/C12H19NOS/c1-9(13-3)10(2)15-12-7-5-6-11(8-12)14-4/h5-10,13H,1-4H3
InChIKeyGNADQHSBBBASMT-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.78
Rot. Bonds5

About 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine

3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine (PubChem CID 64621459) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine
PubChem CID64621459
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine
SMILESCNC(C)C(C)Sc1cccc(OC)c1
InChIInChI=1S/C12H19NOS/c1-9(13-3)10(2)15-12-7-5-6-11(8-12)14-4/h5-10,13H,1-4H3
InChIKeyGNADQHSBBBASMT-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 55546559
N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 46935149
N-[2-(3-methoxyphenyl)sulfanylpropyl]-3-methylbutan-1-amine
CID 62582786
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
CID 94809014
1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
CID 64620958
3-(3-methoxyphenyl)sulfanylpentan-1-amine
CID 43530332
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
CID 64805744

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine?
The IUPAC name of 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine (CID 64621459) is 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine?
The canonical SMILES for 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine is CNC(C)C(C)Sc1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine?
The InChIKey is GNADQHSBBBASMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9(13-3)10(2)15-12-7-5-6-11(8-12)14-4/h5-10,13H,1-4H3.
What are the key properties of 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine?
3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine is sourced from PubChem (CID 64621459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).