[3-[(2-methylthian-3-yl)amino]phenyl]methanol

C13H19NOS — CID 79957294

IUPAC[3-[(2-methylthian-3-yl)amino]phenyl]methanol
SMILESCC1SCCCC1Nc1cccc(CO)c1
InChIInChI=1S/C13H19NOS/c1-10-13(6-3-7-16-10)14-12-5-2-4-11(8-12)9-15/h2,4-5,8,10,13-15H,3,6-7,9H2,1H3
InChIKeyCUOBPNNFELCSFB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.87
Rot. Bonds3

About [3-[(2-methylthian-3-yl)amino]phenyl]methanol

[3-[(2-methylthian-3-yl)amino]phenyl]methanol (PubChem CID 79957294) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [3-[(2-methylthian-3-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-methylthian-3-yl)amino]phenyl]methanol
PubChem CID79957294
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[3-[(2-methylthian-3-yl)amino]phenyl]methanol
SMILESCC1SCCCC1Nc1cccc(CO)c1
InChIInChI=1S/C13H19NOS/c1-10-13(6-3-7-16-10)14-12-5-2-4-11(8-12)9-15/h2,4-5,8,10,13-15H,3,6-7,9H2,1H3
InChIKeyCUOBPNNFELCSFB-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-2-methylthiolan-3-amine
CID 102671024
N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine
CID 102671075
[3-[[2-(trifluoromethyl)cyclohexyl]amino]phenyl]methanol
CID 64759496
[3-[(2-methylsulfonylcyclopentyl)amino]phenyl]methanol
CID 65044032
N-(3,4-dimethylphenyl)-2-methylthian-3-amine
CID 79957620
2-methyl-N-(3-methylphenyl)thiolan-3-amine
CID 102671005
2-methyl-N-(4-methylphenyl)thian-3-amine
CID 79957900
2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine
CID 79957399
[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836
N-(2,6-dichlorophenyl)-2-methylthian-3-amine
CID 79957419
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]thian-3-amine
CID 79957567
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylthian-3-yl)amino]phenyl]methanol?
The IUPAC name of [3-[(2-methylthian-3-yl)amino]phenyl]methanol (CID 79957294) is [3-[(2-methylthian-3-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(2-methylthian-3-yl)amino]phenyl]methanol?
The canonical SMILES for [3-[(2-methylthian-3-yl)amino]phenyl]methanol is CC1SCCCC1Nc1cccc(CO)c1.
What is the InChIKey of [3-[(2-methylthian-3-yl)amino]phenyl]methanol?
The InChIKey is CUOBPNNFELCSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-13(6-3-7-16-10)14-12-5-2-4-11(8-12)9-15/h2,4-5,8,10,13-15H,3,6-7,9H2,1H3.
What are the key properties of [3-[(2-methylthian-3-yl)amino]phenyl]methanol?
[3-[(2-methylthian-3-yl)amino]phenyl]methanol has a molecular weight of 237.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylthian-3-yl)amino]phenyl]methanol is sourced from PubChem (CID 79957294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).