6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide

C13H23N3O3S — CID 103341229

IUPAC6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCC(C)N(CCCO)c1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H23N3O3S/c1-11(2)16(8-5-9-17)13-7-6-12(10-14-13)20(18,19)15(3)4/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyPMGDFOZSTYGPBN-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.93
Rot. Bonds7

About 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341229) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341229
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCC(C)N(CCCO)c1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H23N3O3S/c1-11(2)16(8-5-9-17)13-7-6-12(10-14-13)20(18,19)15(3)4/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyPMGDFOZSTYGPBN-UHFFFAOYSA-N
XLogP0.93
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636803
3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61314147
3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 61146387
6-[2-hydroxyethyl(2-methoxyethyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341242
6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341349
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734
2-[(5-chloro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 61150137
3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61146549
3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 83266014
6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 115755442
6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341450

Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 103341229) is 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide is CC(C)N(CCCO)c1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is PMGDFOZSTYGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11(2)16(8-5-9-17)13-7-6-12(10-14-13)20(18,19)15(3)4/h6-7,10-11,17H,5,8-9H2,1-4H3.
What are the key properties of 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).