[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol

C12H17NOS — CID 115229206

IUPAC[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol
SMILESCN(CO)Cc1ccc2c(c1)CCCS2
InChIInChI=1S/C12H17NOS/c1-13(9-14)8-10-4-5-12-11(7-10)3-2-6-15-12/h4-5,7,14H,2-3,6,8-9H2,1H3
InChIKeyOEBGFESTYVLYLZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.11
Rot. Bonds3

About [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol

[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol (PubChem CID 115229206) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol.

Molecular Properties

Compound Name[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol
PubChem CID115229206
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol
SMILESCN(CO)Cc1ccc2c(c1)CCCS2
InChIInChI=1S/C12H17NOS/c1-13(9-14)8-10-4-5-12-11(7-10)3-2-6-15-12/h4-5,7,14H,2-3,6,8-9H2,1H3
InChIKeyOEBGFESTYVLYLZ-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-thiochromen-6-yl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258750
2-[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]-2-oxoacetic acid
CID 115141424
6-(bromomethyl)-3,4-dihydro-2H-thiochromene
CID 116932395
2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine
CID 115259640
2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
CID 116847499
[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-methylamino]methanethiol
CID 115228465
N-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl]-N-methylcarbamoyl chloride
CID 115195091
[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]methanol
CID 115229368
[3,4-dihydro-2H-thiochromen-6-yl(methyl)amino]methanethiol
CID 115227824
2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane
CID 150445494
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
ethyl 2-(3,4-dihydro-2H-thiochromen-6-yl)acetate
CID 116932100

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol?
The IUPAC name of [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol (CID 115229206) is [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol.
What is the SMILES notation for [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol?
The canonical SMILES for [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol is CN(CO)Cc1ccc2c(c1)CCCS2.
What is the InChIKey of [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol?
The InChIKey is OEBGFESTYVLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-13(9-14)8-10-4-5-12-11(7-10)3-2-6-15-12/h4-5,7,14H,2-3,6,8-9H2,1H3.
What are the key properties of [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol?
[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol has a molecular weight of 223.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol is sourced from PubChem (CID 115229206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).