N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide

C14H23N3O3S — CID 103305237

IUPACN-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C14H23N3O3S/c1-3-8-15-13-7-4-9-16-14(13)21(18,19)17(2)11-12-6-5-10-20-12/h4,7,9,12,15H,3,5-6,8,10-11H2,1-2H3
InChIKeyQBHHVMKWSPRELX-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.70
Rot. Bonds7

About N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide

N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103305237) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103305237
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C14H23N3O3S/c1-3-8-15-13-7-4-9-16-14(13)21(18,19)17(2)11-12-6-5-10-20-12/h4,7,9,12,15H,3,5-6,8,10-11H2,1-2H3
InChIKeyQBHHVMKWSPRELX-UHFFFAOYSA-N
XLogP1.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436014
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436120
N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103307540
2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594076
N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306973
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638
3-[methyl(oxan-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596790
N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304982
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581
N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305537
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide (CID 103305237) is N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)N(C)CC1CCCO1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is QBHHVMKWSPRELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-8-15-13-7-4-9-16-14(13)21(18,19)17(2)11-12-6-5-10-20-12/h4,7,9,12,15H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).