N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide

C12H22N2O2S — CID 63689724

IUPACN-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H22N2O2S/c1-11(2,3)17(15,16)14-12(10-13)8-6-4-5-7-9-12/h14H,4-9H2,1-3H3
InChIKeyYYGIBDYSTQEZCM-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.32
Rot. Bonds2

About N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide

N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide (PubChem CID 63689724) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide
PubChem CID63689724
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H22N2O2S/c1-11(2,3)17(15,16)14-12(10-13)8-6-4-5-7-9-12/h14H,4-9H2,1-3H3
InChIKeyYYGIBDYSTQEZCM-UHFFFAOYSA-N
XLogP2.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide (CID 63689724) is N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide?
The InChIKey is YYGIBDYSTQEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-11(2,3)17(15,16)14-12(10-13)8-6-4-5-7-9-12/h14H,4-9H2,1-3H3.
What are the key properties of N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide?
N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide has a molecular weight of 258.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).