1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol

C15H21NOS — CID 115869693

IUPAC1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCC1CCSCC1
InChIInChI=1S/C15H21NOS/c17-15-3-1-2-12-13(15)4-5-14(12)16-10-11-6-8-18-9-7-11/h1-3,11,14,16-17H,4-10H2
InChIKeyUSQFZLUXZAXAGX-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.11
Rot. Bonds3

About 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol

1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 115869693) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID115869693
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCC1CCSCC1
InChIInChI=1S/C15H21NOS/c17-15-3-1-2-12-13(15)4-5-14(12)16-10-11-6-8-18-9-7-11/h1-3,11,14,16-17H,4-10H2
InChIKeyUSQFZLUXZAXAGX-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 103874821
1-(2-cyclohexylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 54931966
1-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 43637052
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54900064
methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 43637145
1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636953
1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol
CID 62380402
N-(thian-4-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115719938
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498
1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 63822385
1-[(2-methylcyclopropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 62397315

Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol (CID 115869693) is 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2NCC1CCSCC1.
What is the InChIKey of 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is USQFZLUXZAXAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-15-3-1-2-12-13(15)4-5-14(12)16-10-11-6-8-18-9-7-11/h1-3,11,14,16-17H,4-10H2.
What are the key properties of 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol?
1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 263.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 115869693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).