N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide

C15H21N3O2S — CID 75467555

IUPACN-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide
SMILESN#CCCN(CC1CCC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H21N3O2S/c16-9-4-11-18(13-14-5-3-6-14)21(19,20)12-8-15-7-1-2-10-17-15/h1-2,7,10,14H,3-6,8,11-13H2
InChIKeyIYOOHSKCZBVUSE-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.97
Rot. Bonds8

About N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide

N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 75467555) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID75467555
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide
SMILESN#CCCN(CC1CCC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H21N3O2S/c16-9-4-11-18(13-14-5-3-6-14)21(19,20)12-8-15-7-1-2-10-17-15/h1-2,7,10,14H,3-6,8,11-13H2
InChIKeyIYOOHSKCZBVUSE-UHFFFAOYSA-N
XLogP1.97
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide (CID 75467555) is N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide is N#CCCN(CC1CCC1)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is IYOOHSKCZBVUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-9-4-11-18(13-14-5-3-6-14)21(19,20)12-8-15-7-1-2-10-17-15/h1-2,7,10,14H,3-6,8,11-13H2.
What are the key properties of N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide?
N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(cyclobutylmethyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 75467555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).