1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide

C16H26N2O4S — CID 136558884

IUPAC1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide
SMILESCC(C)Oc1cc(CNS(=O)(=O)CC2CC(C)(C)CO2)ccn1
InChIInChI=1S/C16H26N2O4S/c1-12(2)22-15-7-13(5-6-17-15)9-18-23(19,20)10-14-8-16(3,4)11-21-14/h5-7,12,14,18H,8-11H2,1-4H3
InChIKeyOMQUQPRJEOBUAP-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.10
Rot. Bonds7

About 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide

1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide (PubChem CID 136558884) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide
PubChem CID136558884
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide
SMILESCC(C)Oc1cc(CNS(=O)(=O)CC2CC(C)(C)CO2)ccn1
InChIInChI=1S/C16H26N2O4S/c1-12(2)22-15-7-13(5-6-17-15)9-18-23(19,20)10-14-8-16(3,4)11-21-14/h5-7,12,14,18H,8-11H2,1-4H3
InChIKeyOMQUQPRJEOBUAP-UHFFFAOYSA-N
XLogP2.10
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide with MolForge

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Related Compounds

3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide
CID 71910816
N-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyridin-2-amine
CID 86805580
2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid
CID 55141905
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3,3-dimethylcyclobutyl)urea;molecular hydrogen
CID 168892298
5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 86805588
(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide
CID 99704294
N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106062082
4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one
CID 168659174
4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine
CID 69013905
4-[(dimethylsulfamoylamino)methyl]-2-ethoxypyridine
CID 75416252
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3-ethylcyclobutyl)urea
CID 168892460
N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 126787756

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide (CID 136558884) is 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide is CC(C)Oc1cc(CNS(=O)(=O)CC2CC(C)(C)CO2)ccn1.
What is the InChIKey of 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide?
The InChIKey is OMQUQPRJEOBUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-12(2)22-15-7-13(5-6-17-15)9-18-23(19,20)10-14-8-16(3,4)11-21-14/h5-7,12,14,18H,8-11H2,1-4H3.
What are the key properties of 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide?
1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyloxolan-2-yl)-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 136558884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).