N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide

C16H21N3O2S — CID 131899465

IUPACN-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CC(NS(=O)(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)10-15(13-6-4-8-17-11-13)19-22(20,21)14-7-5-9-18-12-14/h4-9,11-12,15,19H,10H2,1-3H3
InChIKeyKPIQGOKTOODZHQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.93
Rot. Bonds5

About N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide (PubChem CID 131899465) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
PubChem CID131899465
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CC(NS(=O)(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)10-15(13-6-4-8-17-11-13)19-22(20,21)14-7-5-9-18-12-14/h4-9,11-12,15,19H,10H2,1-3H3
InChIKeyKPIQGOKTOODZHQ-UHFFFAOYSA-N
XLogP2.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
CID 107158011
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
CID 61273867
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
methyl 3-(4-bromophenyl)-3-(pyridin-3-ylsulfonylamino)propanoate
CID 60548931
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide
CID 95970916
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide?
The IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide (CID 131899465) is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide is CC(C)(C)CC(NS(=O)(=O)c1cccnc1)c1cccnc1.
What is the InChIKey of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide?
The InChIKey is KPIQGOKTOODZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(2,3)10-15(13-6-4-8-17-11-13)19-22(20,21)14-7-5-9-18-12-14/h4-9,11-12,15,19H,10H2,1-3H3.
What are the key properties of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide?
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 131899465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).