2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol

C15H23NO2S — CID 64807612

IUPAC2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
SMILESCOc1cccc(SCCC(C)(CO)NC2CC2)c1
InChIInChI=1S/C15H23NO2S/c1-15(11-17,16-12-6-7-12)8-9-19-14-5-3-4-13(10-14)18-2/h3-5,10,12,16-17H,6-9,11H2,1-2H3
InChIKeyJUMSIOIUUFFDRM-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.68
Rot. Bonds8

About 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol

2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol (PubChem CID 64807612) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
PubChem CID64807612
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
SMILESCOc1cccc(SCCC(C)(CO)NC2CC2)c1
InChIInChI=1S/C15H23NO2S/c1-15(11-17,16-12-6-7-12)8-9-19-14-5-3-4-13(10-14)18-2/h3-5,10,12,16-17H,6-9,11H2,1-2H3
InChIKeyJUMSIOIUUFFDRM-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64806302
2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64808531
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
CID 64802097
4-(3-methoxyphenyl)sulfanyl-2,2-dimethylbutanenitrile
CID 65176494
2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64806795
2-(cyclopropylamino)-6-(3,4-dimethylphenyl)sulfanyl-2-methylhexan-1-ol
CID 64805569
2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol
CID 106810884
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818836
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 64819014
4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
CID 64805744

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol (CID 64807612) is 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol is COc1cccc(SCCC(C)(CO)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol?
The InChIKey is JUMSIOIUUFFDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(11-17,16-12-6-7-12)8-9-19-14-5-3-4-13(10-14)18-2/h3-5,10,12,16-17H,6-9,11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol?
2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol is sourced from PubChem (CID 64807612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).