N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide

C14H22N2O4S — CID 167276508

IUPACN-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide
SMILESCOC[C@@H](CNS(=O)(=O)C1CC1)n1cc(C)cc(C)c1=O
InChIInChI=1S/C14H22N2O4S/c1-10-6-11(2)14(17)16(8-10)12(9-20-3)7-15-21(18,19)13-4-5-13/h6,8,12-13,15H,4-5,7,9H2,1-3H3/t12-/m1/s1
InChIKeyOIPGRYIRMMAIPZ-GFCCVEGCSA-N
MW314.41 g/mol
LogP0.73
Rot. Bonds7

About N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide

N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide (PubChem CID 167276508) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide
PubChem CID167276508
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide
SMILESCOC[C@@H](CNS(=O)(=O)C1CC1)n1cc(C)cc(C)c1=O
InChIInChI=1S/C14H22N2O4S/c1-10-6-11(2)14(17)16(8-10)12(9-20-3)7-15-21(18,19)13-4-5-13/h6,8,12-13,15H,4-5,7,9H2,1-3H3/t12-/m1/s1
InChIKeyOIPGRYIRMMAIPZ-GFCCVEGCSA-N
XLogP0.73
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 22004330
5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 15485774
methyl 3-(cyclopropylsulfonylamino)-2-iodopropanoate
CID 103493669
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide
CID 125443004
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
CID 90623438
N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
CID 159206718
N-(3-hydroxy-4-methoxybutyl)cyclopentanesulfonamide
CID 103875926
N-(2-methoxyethoxy)oxane-4-sulfonamide
CID 82715938
N-(2-chloro-3-ethylpentyl)cyclopropanesulfonamide
CID 106288751
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide
CID 71810393
5-bromo-1-(1,3-dimethoxypropan-2-yl)-3-[4-(fluoromethoxy)-2,6-dimethylanilino]pyrazin-2-one
CID 56961969

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide (CID 167276508) is N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide is COC[C@@H](CNS(=O)(=O)C1CC1)n1cc(C)cc(C)c1=O.
What is the InChIKey of N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide?
The InChIKey is OIPGRYIRMMAIPZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-6-11(2)14(17)16(8-10)12(9-20-3)7-15-21(18,19)13-4-5-13/h6,8,12-13,15H,4-5,7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide?
N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide is sourced from PubChem (CID 167276508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).