2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide

C10H17N3O4S — CID 106594050

IUPAC2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C10H17N3O4S/c11-8-9-10(2-1-3-12-9)18(16,17)13(4-6-14)5-7-15/h1-3,14-15H,4-8,11H2
InChIKeyCRNDOBGNSMQALF-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.48
Rot. Bonds7

About 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide

2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide (PubChem CID 106594050) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
PubChem CID106594050
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C10H17N3O4S/c11-8-9-10(2-1-3-12-9)18(16,17)13(4-6-14)5-7-15/h1-3,14-15H,4-8,11H2
InChIKeyCRNDOBGNSMQALF-UHFFFAOYSA-N
XLogP-1.48
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
2-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 106594895
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 106594258
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 106594255
2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
CID 106593798
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 106593972
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703
2-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 106594065
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61045189
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 106594600
2-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 106594079

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide (CID 106594050) is 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide is NCc1ncccc1S(=O)(=O)N(CCO)CCO.
What is the InChIKey of 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide?
The InChIKey is CRNDOBGNSMQALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c11-8-9-10(2-1-3-12-9)18(16,17)13(4-6-14)5-7-15/h1-3,14-15H,4-8,11H2.
What are the key properties of 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of -1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).