1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol

C11H13NOS — CID 116830002

IUPAC1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
SMILESCc1[nH]c2ccccc2c1C(O)CS
InChIInChI=1S/C11H13NOS/c1-7-11(10(13)6-14)8-4-2-3-5-9(8)12-7/h2-5,10,12-14H,6H2,1H3
InChIKeyMORBQYQDQFPFGN-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.44
Rot. Bonds2

About 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol

1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol (PubChem CID 116830002) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
PubChem CID116830002
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
SMILESCc1[nH]c2ccccc2c1C(O)CS
InChIInChI=1S/C11H13NOS/c1-7-11(10(13)6-14)8-4-2-3-5-9(8)12-7/h2-5,10,12-14H,6H2,1H3
InChIKeyMORBQYQDQFPFGN-UHFFFAOYSA-N
XLogP2.44
TPSA36.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
CID 170819227
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol
CID 43146530
(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol
CID 102355251
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 116907669
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol (CID 116830002) is 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol is Cc1[nH]c2ccccc2c1C(O)CS.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol?
The InChIKey is MORBQYQDQFPFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7-11(10(13)6-14)8-4-2-3-5-9(8)12-7/h2-5,10,12-14H,6H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol?
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol has a molecular weight of 207.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol is sourced from PubChem (CID 116830002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).