1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol

C12H20N2OS — CID 107644664

IUPAC1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol
SMILESCSc1ccccc1NCC(O)CN(C)C
InChIInChI=1S/C12H20N2OS/c1-14(2)9-10(15)8-13-11-6-4-5-7-12(11)16-3/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyWIBZPHZFTWIKNX-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.74
Rot. Bonds6

About 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol

1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol (PubChem CID 107644664) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol
PubChem CID107644664
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol
SMILESCSc1ccccc1NCC(O)CN(C)C
InChIInChI=1S/C12H20N2OS/c1-14(2)9-10(15)8-13-11-6-4-5-7-12(11)16-3/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyWIBZPHZFTWIKNX-UHFFFAOYSA-N
XLogP1.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
CID 60897390
1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
1-(2-bromo-4-methylanilino)-3-(dimethylamino)propan-2-ol
CID 60897447
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
1-(3-methylphenoxy)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644730
5-[2-hydroxy-3-(2-methylsulfanylanilino)propyl]-3H-1,3-oxazol-2-one
CID 175538790
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
1-(2-chloro-4-fluoro-5-methylanilino)-3-(dimethylamino)propan-2-ol
CID 112734648
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943
5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one
CID 175516124

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol (CID 107644664) is 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol is CSc1ccccc1NCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol?
The InChIKey is WIBZPHZFTWIKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-14(2)9-10(15)8-13-11-6-4-5-7-12(11)16-3/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol?
1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol has a molecular weight of 240.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol is sourced from PubChem (CID 107644664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).