N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine

C16H19NO2S2 — CID 64653419

IUPACN-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1c2ccccc2OCC1S(=O)c1cccs1
InChIInChI=1S/C16H19NO2S2/c1-2-9-17-16-12-6-3-4-7-13(12)19-11-14(16)21(18)15-8-5-10-20-15/h3-8,10,14,16-17H,2,9,11H2,1H3
InChIKeyIJGVBEQNWLOWGL-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.36
Rot. Bonds5

About N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine

N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64653419) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID64653419
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC NameN-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1c2ccccc2OCC1S(=O)c1cccs1
InChIInChI=1S/C16H19NO2S2/c1-2-9-17-16-12-6-3-4-7-13(12)19-11-14(16)21(18)15-8-5-10-20-15/h3-8,10,14,16-17H,2,9,11H2,1H3
InChIKeyIJGVBEQNWLOWGL-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine
CID 64651960
N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64653008
3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 64652880
3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654603
3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64657748
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
CID 66102789
N-ethyl-2-thiophen-2-ylsulfinylcycloheptan-1-amine
CID 64651144
3-(3-methoxypyrrolidin-1-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 103532266
3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523855
2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107759520
N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide
CID 110751628

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine (CID 64653419) is N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1c2ccccc2OCC1S(=O)c1cccs1.
What is the InChIKey of N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IJGVBEQNWLOWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-2-9-17-16-12-6-3-4-7-13(12)19-11-14(16)21(18)15-8-5-10-20-15/h3-8,10,14,16-17H,2,9,11H2,1H3.
What are the key properties of N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine?
N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 321.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64653419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).