5-amino-N-butyl-N-methylpyridine-3-sulfonamide

C10H17N3O2S — CID 82222996

IUPAC5-amino-N-butyl-N-methylpyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cncc(N)c1
InChIInChI=1S/C10H17N3O2S/c1-3-4-5-13(2)16(14,15)10-6-9(11)7-12-8-10/h6-8H,3-5,11H2,1-2H3
InChIKeyJUMWOICGQCSJFU-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.08
Rot. Bonds5

About 5-amino-N-butyl-N-methylpyridine-3-sulfonamide

5-amino-N-butyl-N-methylpyridine-3-sulfonamide (PubChem CID 82222996) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-amino-N-butyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-methylpyridine-3-sulfonamide
PubChem CID82222996
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5-amino-N-butyl-N-methylpyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cncc(N)c1
InChIInChI=1S/C10H17N3O2S/c1-3-4-5-13(2)16(14,15)10-6-9(11)7-12-8-10/h6-8H,3-5,11H2,1-2H3
InChIKeyJUMWOICGQCSJFU-UHFFFAOYSA-N
XLogP1.08
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 82222964
5-amino-N-methyl-N-phenylpyridine-3-sulfonamide
CID 82222998
N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide
CID 107206296
4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
CID 54888877
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-amino-N-butyl-N-methylpyridine-3-sulfonamide (CID 82222996) is 5-amino-N-butyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-amino-N-butyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-amino-N-butyl-N-methylpyridine-3-sulfonamide is CCCCN(C)S(=O)(=O)c1cncc(N)c1.
What is the InChIKey of 5-amino-N-butyl-N-methylpyridine-3-sulfonamide?
The InChIKey is JUMWOICGQCSJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-4-5-13(2)16(14,15)10-6-9(11)7-12-8-10/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 5-amino-N-butyl-N-methylpyridine-3-sulfonamide?
5-amino-N-butyl-N-methylpyridine-3-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 82222996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).