N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide

C16H26N2O3S — CID 75380712

IUPACN-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide
SMILESCC(C)C(c1cccnc1)N(C)S(=O)(=O)CCC1CCCO1
InChIInChI=1S/C16H26N2O3S/c1-13(2)16(14-6-4-9-17-12-14)18(3)22(19,20)11-8-15-7-5-10-21-15/h4,6,9,12-13,15-16H,5,7-8,10-11H2,1-3H3
InChIKeyUJQHQHSCLZOFCW-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.61
Rot. Bonds7

About N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide

N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide (PubChem CID 75380712) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide
PubChem CID75380712
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide
SMILESCC(C)C(c1cccnc1)N(C)S(=O)(=O)CCC1CCCO1
InChIInChI=1S/C16H26N2O3S/c1-13(2)16(14-6-4-9-17-12-14)18(3)22(19,20)11-8-15-7-5-10-21-15/h4,6,9,12-13,15-16H,5,7-8,10-11H2,1-3H3
InChIKeyUJQHQHSCLZOFCW-UHFFFAOYSA-N
XLogP2.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide
CID 71969848
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
CID 124856489
N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 129424141
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 110619177

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide?
The IUPAC name of N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide (CID 75380712) is N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide is CC(C)C(c1cccnc1)N(C)S(=O)(=O)CCC1CCCO1.
What is the InChIKey of N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide?
The InChIKey is UJQHQHSCLZOFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(2)16(14-6-4-9-17-12-14)18(3)22(19,20)11-8-15-7-5-10-21-15/h4,6,9,12-13,15-16H,5,7-8,10-11H2,1-3H3.
What are the key properties of N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide?
N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 75380712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).