5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol

C14H15NOS — CID 80562844

IUPAC5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)Cc1ccsc1
InChIInChI=1S/C14H15NOS/c15-12-1-2-13-11(7-12)3-5-14(13,16)8-10-4-6-17-9-10/h1-2,4,6-7,9,16H,3,5,8,15H2
InChIKeyPXPAJXZVAAMFAD-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.71
Rot. Bonds2

About 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol

5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol (PubChem CID 80562844) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
PubChem CID80562844
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)Cc1ccsc1
InChIInChI=1S/C14H15NOS/c15-12-1-2-13-11(7-12)3-5-14(13,16)8-10-4-6-17-9-10/h1-2,4,6-7,9,16H,3,5,8,15H2
InChIKeyPXPAJXZVAAMFAD-UHFFFAOYSA-N
XLogP2.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 79374000
5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 80562868
5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol
CID 80562688
5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
CID 80562590
5-amino-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
CID 80562861
1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 65408435
5-amino-1-(2-methylthiophen-3-yl)-2,3-dihydroinden-1-ol
CID 102829346
4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434027
1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741691
4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol
CID 130520190
2-thiophen-3-yl-1,3-dihydroisoindol-5-amine
CID 66350206
1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741216

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol (CID 80562844) is 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol is Nc1ccc2c(c1)CCC2(O)Cc1ccsc1.
What is the InChIKey of 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol?
The InChIKey is PXPAJXZVAAMFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-12-1-2-13-11(7-12)3-5-14(13,16)8-10-4-6-17-9-10/h1-2,4,6-7,9,16H,3,5,8,15H2.
What are the key properties of 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol?
5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol has a molecular weight of 245.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).