N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide

C12H20N2O2S — CID 113091993

IUPACN-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(C)c1cccnc1
InChIInChI=1S/C12H20N2O2S/c1-4-5-9-17(15,16)14-12(2,3)11-7-6-8-13-10-11/h6-8,10,14H,4-5,9H2,1-3H3
InChIKeyNZZLWECGOSIZJN-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.04
Rot. Bonds6

About N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide

N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide (PubChem CID 113091993) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide
PubChem CID113091993
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(C)c1cccnc1
InChIInChI=1S/C12H20N2O2S/c1-4-5-9-17(15,16)14-12(2,3)11-7-6-8-13-10-11/h6-8,10,14H,4-5,9H2,1-3H3
InChIKeyNZZLWECGOSIZJN-UHFFFAOYSA-N
XLogP2.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide
CID 113091997
3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide
CID 110870356
3-(5-methylnonan-5-yl)pyridine
CID 139543665
3-(2-methyloctan-2-yl)pyridine
CID 126558457
N-pyrazin-2-ylbutane-1-sulfonamide
CID 22772906
2-pyridin-3-yloctan-2-amine
CID 174517914
3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
CID 175286517
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide
CID 146353112
2-butylsulfanyl-2-pyridin-3-ylpropanoic acid
CID 114994633
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide
CID 110318742
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide?
The IUPAC name of N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide (CID 113091993) is N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide?
The canonical SMILES for N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(C)(C)c1cccnc1.
What is the InChIKey of N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide?
The InChIKey is NZZLWECGOSIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-5-9-17(15,16)14-12(2,3)11-7-6-8-13-10-11/h6-8,10,14H,4-5,9H2,1-3H3.
What are the key properties of N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide?
N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 113091993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).