N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide

C16H20N4O4S — CID 135091371

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc2nccnc12
InChIInChI=1S/C16H20N4O4S/c1-20(2)25(22,23)10-11-8-24-9-14(11)19-16(21)12-4-3-5-13-15(12)18-7-6-17-13/h3-7,11,14H,8-10H2,1-2H3,(H,19,21)/t11-,14+/m0/s1
InChIKeyIPQWCIJTIHHFEO-SMDDNHRTSA-N
MW364.43 g/mol
LogP0.27
Rot. Bonds5

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide (PubChem CID 135091371) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide
PubChem CID135091371
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc2nccnc12
InChIInChI=1S/C16H20N4O4S/c1-20(2)25(22,23)10-11-8-24-9-14(11)19-16(21)12-4-3-5-13-15(12)18-7-6-17-13/h3-7,11,14H,8-10H2,1-2H3,(H,19,21)/t11-,14+/m0/s1
InChIKeyIPQWCIJTIHHFEO-SMDDNHRTSA-N
XLogP0.27
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoline-4-carboxamide
CID 135116985
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 135111929
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide
CID 157017466
5-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]naphthalene-1-carboxamide
CID 135103204
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxybenzamide
CID 135108936
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethylpyridine-3-carboxamide
CID 135095221
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-hydroxy-2-methylbenzamide
CID 135103380
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]isoquinoline-1-carboxamide
CID 135120217
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide (CID 135091371) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cccc2nccnc12.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide?
The InChIKey is IPQWCIJTIHHFEO-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-20(2)25(22,23)10-11-8-24-9-14(11)19-16(21)12-4-3-5-13-15(12)18-7-6-17-13/h3-7,11,14H,8-10H2,1-2H3,(H,19,21)/t11-,14+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 135091371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).