3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine

C12H19N3O2S — CID 63777500

IUPAC3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine
SMILESCN1CCN(S(=O)(=O)CCCN)c2ccccc21
InChIInChI=1S/C12H19N3O2S/c1-14-8-9-15(18(16,17)10-4-7-13)12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10,13H2,1H3
InChIKeyCVGNTAUVIMQZMQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.62
Rot. Bonds4

About 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine

3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine (PubChem CID 63777500) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine.

Molecular Properties

Compound Name3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine
PubChem CID63777500
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine
SMILESCN1CCN(S(=O)(=O)CCCN)c2ccccc21
InChIInChI=1S/C12H19N3O2S/c1-14-8-9-15(18(16,17)10-4-7-13)12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10,13H2,1H3
InChIKeyCVGNTAUVIMQZMQ-UHFFFAOYSA-N
XLogP0.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 110715148
1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline
CID 110715152
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
CID 63776620
4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol
CID 63777912
5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one
CID 63776643
1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 46382906
4-butylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 110713059
1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline
CID 63778567
1-butylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336701
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
CID 63777654

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine?
The IUPAC name of 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine (CID 63777500) is 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine.
What is the SMILES notation for 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine?
The canonical SMILES for 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine is CN1CCN(S(=O)(=O)CCCN)c2ccccc21.
What is the InChIKey of 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine?
The InChIKey is CVGNTAUVIMQZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-14-8-9-15(18(16,17)10-4-7-13)12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10,13H2,1H3.
What are the key properties of 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine?
3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine has a molecular weight of 269.37 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine is sourced from PubChem (CID 63777500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).