1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine

C16H24N2O2S — CID 64990279

IUPAC1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)CC2CC2)c2ccccc21
InChIInChI=1S/C16H24N2O2S/c1-2-10-17-15-9-11-18(16-6-4-3-5-14(15)16)21(19,20)12-13-7-8-13/h3-6,13,15,17H,2,7-12H2,1H3
InChIKeyBGOIKGMNXYIVSI-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.68
Rot. Bonds6

About 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine

1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 64990279) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID64990279
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)CC2CC2)c2ccccc21
InChIInChI=1S/C16H24N2O2S/c1-2-10-17-15-9-11-18(16-6-4-3-5-14(15)16)21(19,20)12-13-7-8-13/h3-6,13,15,17H,2,7-12H2,1H3
InChIKeyBGOIKGMNXYIVSI-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine (CID 64990279) is 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine is CCCNC1CCN(S(=O)(=O)CC2CC2)c2ccccc21.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is BGOIKGMNXYIVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-10-17-15-9-11-18(16-6-4-3-5-14(15)16)21(19,20)12-13-7-8-13/h3-6,13,15,17H,2,7-12H2,1H3.
What are the key properties of 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 308.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)-N-propyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 64990279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).