N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide

C12H21N3O2S — CID 103303638

IUPACN,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H21N3O2S/c1-4-9-13-11-8-7-10-14-12(11)18(16,17)15(5-2)6-3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyTUTGBFAUKUEHOQ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.93
Rot. Bonds7

About N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide

N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103303638) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103303638
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H21N3O2S/c1-4-9-13-11-8-7-10-14-12(11)18(16,17)15(5-2)6-3/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyTUTGBFAUKUEHOQ-UHFFFAOYSA-N
XLogP1.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(ethylamino)-N-propylpyridine-2-sulfonamide
CID 103304413
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305537
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-ethyl-N-(1-methoxypropan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305051
N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103307540
N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306973
N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide (CID 103303638) is N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is TUTGBFAUKUEHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-9-13-11-8-7-10-14-12(11)18(16,17)15(5-2)6-3/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide?
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103303638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).