(2S)-1-(4-methylsulfanylanilino)propan-2-ol

C10H15NOS — CID 93345415

IUPAC(2S)-1-(4-methylsulfanylanilino)propan-2-ol
SMILESCSc1ccc(NC[C@H](C)O)cc1
InChIInChI=1S/C10H15NOS/c1-8(12)7-11-9-3-5-10(13-2)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1
InChIKeyMWBVEPGXTXNCKR-QMMMGPOBSA-N
MW197.30 g/mol
LogP2.20
Rot. Bonds4

About (2S)-1-(4-methylsulfanylanilino)propan-2-ol

(2S)-1-(4-methylsulfanylanilino)propan-2-ol (PubChem CID 93345415) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (2S)-1-(4-methylsulfanylanilino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methylsulfanylanilino)propan-2-ol
PubChem CID93345415
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(2S)-1-(4-methylsulfanylanilino)propan-2-ol
SMILESCSc1ccc(NC[C@H](C)O)cc1
InChIInChI=1S/C10H15NOS/c1-8(12)7-11-9-3-5-10(13-2)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1
InChIKeyMWBVEPGXTXNCKR-QMMMGPOBSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
1-methoxy-3-(4-methylsulfanylanilino)propan-2-ol
CID 63931302
3-hydroxy-4-(4-methylsulfanylanilino)butanoic acid
CID 103232546
3-methyl-2-[(4-methylsulfanylanilino)methyl]butanoic acid
CID 115250206
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
N'-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107440975
methyl 3-hydroxy-4-(4-methylsulfanylanilino)butanoate
CID 115123225
(2S)-1-[4-(dimethylamino)anilino]propan-2-ol
CID 93345471
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
[4-(2-hydroxypropylamino)phenyl]boronic acid
CID 155793577
1-(2-chlorophenyl)-2-(4-methylsulfanylanilino)ethanol
CID 60896350
1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 106989080

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylsulfanylanilino)propan-2-ol?
The IUPAC name of (2S)-1-(4-methylsulfanylanilino)propan-2-ol (CID 93345415) is (2S)-1-(4-methylsulfanylanilino)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methylsulfanylanilino)propan-2-ol?
The canonical SMILES for (2S)-1-(4-methylsulfanylanilino)propan-2-ol is CSc1ccc(NC[C@H](C)O)cc1.
What is the InChIKey of (2S)-1-(4-methylsulfanylanilino)propan-2-ol?
The InChIKey is MWBVEPGXTXNCKR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(12)7-11-9-3-5-10(13-2)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(4-methylsulfanylanilino)propan-2-ol?
(2S)-1-(4-methylsulfanylanilino)propan-2-ol has a molecular weight of 197.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylsulfanylanilino)propan-2-ol is sourced from PubChem (CID 93345415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).