N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide

C13H22N2O3S — CID 55173729

IUPACN-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESN#CC1(NS(=O)(=O)CC2CCCO2)CCCCCC1
InChIInChI=1S/C13H22N2O3S/c14-11-13(7-3-1-2-4-8-13)15-19(16,17)10-12-6-5-9-18-12/h12,15H,1-10H2
InChIKeyAUGPZTFIZLPLAL-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.70
Rot. Bonds4

About N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide

N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55173729) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55173729
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESN#CC1(NS(=O)(=O)CC2CCCO2)CCCCCC1
InChIInChI=1S/C13H22N2O3S/c14-11-13(7-3-1-2-4-8-13)15-19(16,17)10-12-6-5-9-18-12/h12,15H,1-10H2
InChIKeyAUGPZTFIZLPLAL-UHFFFAOYSA-N
XLogP1.70
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173730
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247259
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-[1-(bromomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114297170
N-[(1-hydroxycyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65113198
1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide
CID 83083803
N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247002
N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 114170083
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119998562
N-(1-cyanocyclohexyl)cyclopropanesulfonamide
CID 64552206
N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 81131179
N-(1-cyanocycloheptyl)cyclopentanesulfonamide
CID 105361084

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide (CID 55173729) is N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide is N#CC1(NS(=O)(=O)CC2CCCO2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is AUGPZTFIZLPLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c14-11-13(7-3-1-2-4-8-13)15-19(16,17)10-12-6-5-9-18-12/h12,15H,1-10H2.
What are the key properties of N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55173729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).