[2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol

C14H21NOS — CID 130215315

IUPAC[2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol
SMILESCc1cc(CN(C)C2CCSC2)ccc1CO
InChIInChI=1S/C14H21NOS/c1-11-7-12(3-4-13(11)9-16)8-15(2)14-5-6-17-10-14/h3-4,7,14,16H,5-6,8-10H2,1-2H3
InChIKeyOOYUPAMDRFUUKC-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.42
Rot. Bonds4

About [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol

[2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol (PubChem CID 130215315) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol
PubChem CID130215315
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name[2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol
SMILESCc1cc(CN(C)C2CCSC2)ccc1CO
InChIInChI=1S/C14H21NOS/c1-11-7-12(3-4-13(11)9-16)8-15(2)14-5-6-17-10-14/h3-4,7,14,16H,5-6,8-10H2,1-2H3
InChIKeyOOYUPAMDRFUUKC-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol (CID 130215315) is [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol is Cc1cc(CN(C)C2CCSC2)ccc1CO.
What is the InChIKey of [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol?
The InChIKey is OOYUPAMDRFUUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-7-12(3-4-13(11)9-16)8-15(2)14-5-6-17-10-14/h3-4,7,14,16H,5-6,8-10H2,1-2H3.
What are the key properties of [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol?
[2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol has a molecular weight of 251.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 130215315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).