1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol

C14H21NOS — CID 79138406

IUPAC1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C14H21NOS/c1-17-7-6-13(16)14(10-15)8-11-4-2-3-5-12(11)9-14/h2-5,13,16H,6-10,15H2,1H3
InChIKeyMTWIQXOPDXEZJK-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.84
Rot. Bonds5

About 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol (PubChem CID 79138406) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol
PubChem CID79138406
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C14H21NOS/c1-17-7-6-13(16)14(10-15)8-11-4-2-3-5-12(11)9-14/h2-5,13,16H,6-10,15H2,1H3
InChIKeyMTWIQXOPDXEZJK-UHFFFAOYSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol (CID 79138406) is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol is CSCCC(O)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol?
The InChIKey is MTWIQXOPDXEZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-17-7-6-13(16)14(10-15)8-11-4-2-3-5-12(11)9-14/h2-5,13,16H,6-10,15H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol?
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 79138406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).