3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol

C13H19NOS — CID 64807080

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19NOS/c1-14-12(8-15)9-16-13-6-5-10-3-2-4-11(10)7-13/h5-7,12,14-15H,2-4,8-9H2,1H3
InChIKeyXKCGOPUBDXISIR-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.85
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol

3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol (PubChem CID 64807080) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
PubChem CID64807080
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19NOS/c1-14-12(8-15)9-16-13-6-5-10-3-2-4-11(10)7-13/h5-7,12,14-15H,2-4,8-9H2,1H3
InChIKeyXKCGOPUBDXISIR-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64648658
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
CID 64648659
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol
CID 64807073
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478875
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810805
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64705422

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol (CID 64807080) is 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol is CNC(CO)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol?
The InChIKey is XKCGOPUBDXISIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-14-12(8-15)9-16-13-6-5-10-3-2-4-11(10)7-13/h5-7,12,14-15H,2-4,8-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol?
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64807080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).