N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide

C13H23N3O3S — CID 106014046

IUPACN-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1ccc(CO)cn1
InChIInChI=1S/C13H23N3O3S/c1-3-8-16(4-2)9-7-15-20(18,19)13-6-5-12(11-17)10-14-13/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3
InChIKeyBRSUKLPYGSAOHP-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.58
Rot. Bonds9

About N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide

N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide (PubChem CID 106014046) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
PubChem CID106014046
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)c1ccc(CO)cn1
InChIInChI=1S/C13H23N3O3S/c1-3-8-16(4-2)9-7-15-20(18,19)13-6-5-12(11-17)10-14-13/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3
InChIKeyBRSUKLPYGSAOHP-UHFFFAOYSA-N
XLogP0.58
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyethyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 114132074
5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
CID 106000682
5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide
CID 54857460
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
CID 103721200
N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113248089
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106377947
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
[6-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255396
5-(hydroxymethyl)-N-(2-methyloxolan-3-yl)pyridine-2-sulfonamide
CID 114135348

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide (CID 106014046) is N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide is CCCN(CC)CCNS(=O)(=O)c1ccc(CO)cn1.
What is the InChIKey of N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide?
The InChIKey is BRSUKLPYGSAOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-8-16(4-2)9-7-15-20(18,19)13-6-5-12(11-17)10-14-13/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide?
N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propyl)amino]ethyl]-5-(hydroxymethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106014046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).