[2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol

C12H16ClNOS — CID 43296882

IUPAC[2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol
SMILESCN(c1cccc(Cl)c1CO)C1CCSC1
InChIInChI=1S/C12H16ClNOS/c1-14(9-5-6-16-8-9)12-4-2-3-11(13)10(12)7-15/h2-4,9,15H,5-8H2,1H3
InChIKeyRUQRJRYJCFGWFV-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.77
Rot. Bonds3

About [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol

[2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol (PubChem CID 43296882) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol
PubChem CID43296882
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name[2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol
SMILESCN(c1cccc(Cl)c1CO)C1CCSC1
InChIInChI=1S/C12H16ClNOS/c1-14(9-5-6-16-8-9)12-4-2-3-11(13)10(12)7-15/h2-4,9,15H,5-8H2,1H3
InChIKeyRUQRJRYJCFGWFV-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol
CID 62254275
[3-methyl-4-[methyl(thiolan-3-yl)amino]phenyl]methanol
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(1R)-1-[2-[methyl(thiolan-3-yl)amino]phenyl]ethanol
CID 78939608
[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
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[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
CID 43586235
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
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N-[2-(chloromethyl)-4-fluorophenyl]-N-methylthiolan-3-amine
CID 43313555
1-N-methyl-3-propoxy-1-N-(thiolan-3-yl)benzene-1,2-diamine
CID 113393306
N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine
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[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 61432390

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol?
The IUPAC name of [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol (CID 43296882) is [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol is CN(c1cccc(Cl)c1CO)C1CCSC1.
What is the InChIKey of [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol?
The InChIKey is RUQRJRYJCFGWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-14(9-5-6-16-8-9)12-4-2-3-11(13)10(12)7-15/h2-4,9,15H,5-8H2,1H3.
What are the key properties of [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol?
[2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol has a molecular weight of 257.79 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[methyl(thiolan-3-yl)amino]phenyl]methanol is sourced from PubChem (CID 43296882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).