3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol

C15H23NOS — CID 103781987

IUPAC3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
SMILESCc1ccc2c(c1)C(NCCSCCCO)CC2
InChIInChI=1S/C15H23NOS/c1-12-3-4-13-5-6-15(14(13)11-12)16-7-10-18-9-2-8-17/h3-4,11,15-17H,2,5-10H2,1H3
InChIKeyUDRFMWXOEFCRCP-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.69
Rot. Bonds7

About 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol

3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 103781987) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
PubChem CID103781987
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
SMILESCc1ccc2c(c1)C(NCCSCCCO)CC2
InChIInChI=1S/C15H23NOS/c1-12-3-4-13-5-6-15(14(13)11-12)16-7-10-18-9-2-8-17/h3-4,11,15-17H,2,5-10H2,1H3
InChIKeyUDRFMWXOEFCRCP-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 115716161
6-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81301273
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
CID 81343671
3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethylsulfanyl]propan-1-ol
CID 106309493
3-[2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781950
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113261344
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol
CID 103787436

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol (CID 103781987) is 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol is Cc1ccc2c(c1)C(NCCSCCCO)CC2.
What is the InChIKey of 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is UDRFMWXOEFCRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12-3-4-13-5-6-15(14(13)11-12)16-7-10-18-9-2-8-17/h3-4,11,15-17H,2,5-10H2,1H3.
What are the key properties of 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 103781987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).