N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide

C11H15N3O2S — CID 62093173

IUPACN-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(CC#N)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C11H15N3O2S/c1-10(5-7-12)14-17(15,16)9-6-11-4-2-3-8-13-11/h2-4,8,10,14H,5-6,9H2,1H3
InChIKeyNJUFIBMOKTUISD-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.85
Rot. Bonds6

About N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide

N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 62093173) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
PubChem CID62093173
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(CC#N)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C11H15N3O2S/c1-10(5-7-12)14-17(15,16)9-6-11-4-2-3-8-13-11/h2-4,8,10,14H,5-6,9H2,1H3
InChIKeyNJUFIBMOKTUISD-UHFFFAOYSA-N
XLogP0.85
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
N-[(1S)-1-naphthalen-2-ylethyl]-2-pyridin-2-ylethanesulfonamide
CID 25038859
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 62945798
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746
N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 61133014
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
3-(2-pyridin-2-ylethylsulfonylamino)pentanethioamide
CID 55101780
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 61123473

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide (CID 62093173) is N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide is CC(CC#N)NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is NJUFIBMOKTUISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-10(5-7-12)14-17(15,16)9-6-11-4-2-3-8-13-11/h2-4,8,10,14H,5-6,9H2,1H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide?
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 253.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 62093173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).