7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine

C15H18ClN3OS — CID 118726542

IUPAC7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine
SMILESCS(=O)c1nc2ccc(Cl)cc2nc1NC1CCCCC1
InChIInChI=1S/C15H18ClN3OS/c1-21(20)15-14(17-11-5-3-2-4-6-11)18-13-9-10(16)7-8-12(13)19-15/h7-9,11H,2-6H2,1H3,(H,17,18)
InChIKeyBSLNEFOVYUPISW-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.77
Rot. Bonds3

About 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine

7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine (PubChem CID 118726542) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine.

Molecular Properties

Compound Name7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine
PubChem CID118726542
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine
SMILESCS(=O)c1nc2ccc(Cl)cc2nc1NC1CCCCC1
InChIInChI=1S/C15H18ClN3OS/c1-21(20)15-14(17-11-5-3-2-4-6-11)18-13-9-10(16)7-8-12(13)19-15/h7-9,11H,2-6H2,1H3,(H,17,18)
InChIKeyBSLNEFOVYUPISW-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-Butyl)-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CID 16007289
N-butyl-7-chloro-3-methylsulfonylquinoxalin-2-amine
CID 118726539
7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine
CID 118726540
N-sec-butyl-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341045
6,7-dichloro-N-isopropyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341047
6,7-dichloro-3-(methylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine
CID 22341084
6,7-dichloro-N,N-dimethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341109
6,7-dichloro-N-isopropyl-N-methyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341111
6,7-dichloro-N-ethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341144
N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726528
N-(4-Chlorophenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332644
N-(2-(6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-ylamino)ethyl)acetamide
CID 20821273

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine?
The IUPAC name of 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine (CID 118726542) is 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine.
What is the SMILES notation for 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine?
The canonical SMILES for 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine is CS(=O)c1nc2ccc(Cl)cc2nc1NC1CCCCC1.
What is the InChIKey of 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine?
The InChIKey is BSLNEFOVYUPISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-21(20)15-14(17-11-5-3-2-4-6-11)18-13-9-10(16)7-8-12(13)19-15/h7-9,11H,2-6H2,1H3,(H,17,18).
What are the key properties of 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine?
7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine has a molecular weight of 323.85 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine is sourced from PubChem (CID 118726542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).