N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine

C16H19NOS2 — CID 64653008

IUPACN-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1S(=O)c1cccs1
InChIInChI=1S/C16H19NOS2/c1-2-9-17-16-13-7-4-3-6-12(13)11-14(16)20(18)15-8-5-10-19-15/h3-8,10,14,16-17H,2,9,11H2,1H3
InChIKeyOCGMAUCRDRZKRF-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.52
Rot. Bonds5

About N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine

N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64653008) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64653008
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC NameN-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1S(=O)c1cccs1
InChIInChI=1S/C16H19NOS2/c1-2-9-17-16-13-7-4-3-6-12(13)11-14(16)20(18)15-8-5-10-19-15/h3-8,10,14,16-17H,2,9,11H2,1H3
InChIKeyOCGMAUCRDRZKRF-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine (CID 64653008) is N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2ccccc2CC1S(=O)c1cccs1.
What is the InChIKey of N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OCGMAUCRDRZKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS2/c1-2-9-17-16-13-7-4-3-6-12(13)11-14(16)20(18)15-8-5-10-19-15/h3-8,10,14,16-17H,2,9,11H2,1H3.
What are the key properties of N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine?
N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 305.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64653008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).