N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide

C11H19N3O2S — CID 71997346

IUPACN-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-10(6-8-14(2)3)13-17(15,16)11-5-4-7-12-9-11/h4-5,7,9-10,13H,6,8H2,1-3H3
InChIKeyCAOOCDOGDAXHNH-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.70
Rot. Bonds6

About N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide

N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide (PubChem CID 71997346) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
PubChem CID71997346
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-10(6-8-14(2)3)13-17(15,16)11-5-4-7-12-9-11/h4-5,7,9-10,13H,6,8H2,1-3H3
InChIKeyCAOOCDOGDAXHNH-UHFFFAOYSA-N
XLogP0.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide
CID 103299907
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 64608220
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
3-[4-(dimethylamino)butan-2-ylsulfamoyl]pyridine-2-carbothioamide
CID 106596928
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 94227411
4-(cyanomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 79186157

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide (CID 71997346) is N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide is CC(CCN(C)C)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide?
The InChIKey is CAOOCDOGDAXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10(6-8-14(2)3)13-17(15,16)11-5-4-7-12-9-11/h4-5,7,9-10,13H,6,8H2,1-3H3.
What are the key properties of N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide?
N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 71997346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).