N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide

C11H20N2O2S — CID 82130400

IUPACN-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C11H20N2O2S/c1-3-9-16(14,15)13(2)11(10-12)7-5-4-6-8-11/h3-9H2,1-2H3
InChIKeyWYYNZQGEGZUXHO-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.88
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide

N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide (PubChem CID 82130400) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide
PubChem CID82130400
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C11H20N2O2S/c1-3-9-16(14,15)13(2)11(10-12)7-5-4-6-8-11/h3-9H2,1-2H3
InChIKeyWYYNZQGEGZUXHO-UHFFFAOYSA-N
XLogP1.88
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide (CID 82130400) is N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide?
The InChIKey is WYYNZQGEGZUXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-9-16(14,15)13(2)11(10-12)7-5-4-6-8-11/h3-9H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide?
N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide has a molecular weight of 244.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 82130400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).