1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol

C14H17NOS — CID 106426048

IUPAC1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC#CCSCCNC1CCc2c(O)cccc21
InChIInChI=1S/C14H17NOS/c1-2-9-17-10-8-15-13-7-6-12-11(13)4-3-5-14(12)16/h1,3-5,13,15-16H,6-10H2
InChIKeyMSYXDXBHIHYEJD-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol

1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 106426048) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID106426048
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC#CCSCCNC1CCc2c(O)cccc21
InChIInChI=1S/C14H17NOS/c1-2-9-17-10-8-15-13-7-6-12-11(13)4-3-5-14(12)16/h1,3-5,13,15-16H,6-10H2
InChIKeyMSYXDXBHIHYEJD-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113348664
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
1-(2-cyclohexylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 54931966
3-N-(2-prop-2-ynylsulfanylethyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 106426589
N-(2-prop-2-ynylsulfanylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115891492
1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637028
1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 113343184
methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 43637145
3-[2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781950
1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636953
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol
CID 62380402

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol (CID 106426048) is 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol is C#CCSCCNC1CCc2c(O)cccc21.
What is the InChIKey of 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is MSYXDXBHIHYEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-9-17-10-8-15-13-7-6-12-11(13)4-3-5-14(12)16/h1,3-5,13,15-16H,6-10H2.
What are the key properties of 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol?
1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 247.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 106426048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).