N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide

C16H22N4O2S — CID 159711538

IUPACN-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Cc2cc(N)cc3nccnc23)CC1
InChIInChI=1S/C16H22N4O2S/c1-23(21,22)20-14-4-2-11(3-5-14)8-12-9-13(17)10-15-16(12)19-7-6-18-15/h6-7,9-11,14,20H,2-5,8,17H2,1H3
InChIKeyRTVQEYSODFBWNU-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.86
Rot. Bonds4

About N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide

N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide (PubChem CID 159711538) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide
PubChem CID159711538
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Cc2cc(N)cc3nccnc23)CC1
InChIInChI=1S/C16H22N4O2S/c1-23(21,22)20-14-4-2-11(3-5-14)8-12-9-13(17)10-15-16(12)19-7-6-18-15/h6-7,9-11,14,20H,2-5,8,17H2,1H3
InChIKeyRTVQEYSODFBWNU-UHFFFAOYSA-N
XLogP1.86
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide (CID 159711538) is N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(Cc2cc(N)cc3nccnc23)CC1.
What is the InChIKey of N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide?
The InChIKey is RTVQEYSODFBWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-23(21,22)20-14-4-2-11(3-5-14)8-12-9-13(17)10-15-16(12)19-7-6-18-15/h6-7,9-11,14,20H,2-5,8,17H2,1H3.
What are the key properties of N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide?
N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide has a molecular weight of 334.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 159711538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).