[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol

C11H17NOS — CID 66347194

IUPAC[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
SMILESCN(C)CCSc1cccc(CO)c1
InChIInChI=1S/C11H17NOS/c1-12(2)6-7-14-11-5-3-4-10(8-11)9-13/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyVYFBIIIHPXEEGF-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.83
Rot. Bonds5

About [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol

[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol (PubChem CID 66347194) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
PubChem CID66347194
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
SMILESCN(C)CCSc1cccc(CO)c1
InChIInChI=1S/C11H17NOS/c1-12(2)6-7-14-11-5-3-4-10(8-11)9-13/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyVYFBIIIHPXEEGF-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608
(3-pentylsulfanylphenyl)methanol
CID 66347769
[3-(3-methylsulfonylpropylsulfanyl)phenyl]methanol
CID 66346984
methyl 3-[3-(hydroxymethyl)phenyl]sulfanylpropanoate
CID 66347189
(3-pent-4-enylsulfanylphenyl)methanol
CID 66347975
N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347205
4-[3-(hydroxymethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349537
[3-(hydroxymethyl)phenyl] thiohypochlorite
CID 87965479
2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine
CID 66354101
4-[2-(dimethylamino)ethylsulfanyl]phenol
CID 15222062
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol
CID 66348162

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol?
The IUPAC name of [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol (CID 66347194) is [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol.
What is the SMILES notation for [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol?
The canonical SMILES for [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol is CN(C)CCSc1cccc(CO)c1.
What is the InChIKey of [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol?
The InChIKey is VYFBIIIHPXEEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-12(2)6-7-14-11-5-3-4-10(8-11)9-13/h3-5,8,13H,6-7,9H2,1-2H3.
What are the key properties of [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol?
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol has a molecular weight of 211.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol is sourced from PubChem (CID 66347194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).