N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine

C15H23NO2S — CID 64651960

IUPACN-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1c2ccccc2OCC1S(=O)CCC
InChIInChI=1S/C15H23NO2S/c1-3-9-16-15-12-7-5-6-8-13(12)18-11-14(15)19(17)10-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyDNBNPKDQMMZGBW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.65
Rot. Bonds6

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

N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64651960) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID64651960
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1c2ccccc2OCC1S(=O)CCC
InChIInChI=1S/C15H23NO2S/c1-3-9-16-15-12-7-5-6-8-13(12)18-11-14(15)19(17)10-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyDNBNPKDQMMZGBW-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 64652880
N-propyl-3-thiophen-2-ylsulfinyl-3,4-dihydro-2H-chromen-4-amine
CID 64653419
3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
CID 66102789
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654603
3-(3-methoxypyrrolidin-1-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 103532266
3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64657748
2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107759520
3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propane-1-sulfonamide
CID 104524113
N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64653008
3-(butylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446124
N-ethyl-3-pentylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 107758627

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine (CID 64651960) is N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1c2ccccc2OCC1S(=O)CCC.
What is the InChIKey of N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DNBNPKDQMMZGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-9-16-15-12-7-5-6-8-13(12)18-11-14(15)19(17)10-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine?
N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 281.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64651960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).