4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide

C12H22N4O2S — CID 103191041

IUPAC4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cnccc1N
InChIInChI=1S/C12H22N4O2S/c1-5-16(10(2)9-15(3)4)19(17,18)12-8-14-7-6-11(12)13/h6-8,10H,5,9H2,1-4H3,(H2,13,14)
InChIKeyBWYDDPFOPFKMKA-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.62
Rot. Bonds6

About 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide

4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide (PubChem CID 103191041) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
PubChem CID103191041
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cnccc1N
InChIInChI=1S/C12H22N4O2S/c1-5-16(10(2)9-15(3)4)19(17,18)12-8-14-7-6-11(12)13/h6-8,10H,5,9H2,1-4H3,(H2,13,14)
InChIKeyBWYDDPFOPFKMKA-UHFFFAOYSA-N
XLogP0.62
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydrazinylpyridine-3-sulfonamide
CID 103189660
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103187486
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
CID 103192203
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 103187456
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 103192351
5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103192247
5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide
CID 103192253

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide (CID 103191041) is 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1cnccc1N.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide?
The InChIKey is BWYDDPFOPFKMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-16(10(2)9-15(3)4)19(17,18)12-8-14-7-6-11(12)13/h6-8,10H,5,9H2,1-4H3,(H2,13,14).
What are the key properties of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide?
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 103191041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).