N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide

C11H20N2O2S — CID 55259190

IUPACN-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C11H20N2O2S/c1-10(2)5-8-16(14,15)13-11(9-12)6-3-4-7-11/h10,13H,3-8H2,1-2H3
InChIKeyMZVHYSJTRSTGEJ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.79
Rot. Bonds5

About N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide

N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide (PubChem CID 55259190) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide
PubChem CID55259190
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C11H20N2O2S/c1-10(2)5-8-16(14,15)13-11(9-12)6-3-4-7-11/h10,13H,3-8H2,1-2H3
InChIKeyMZVHYSJTRSTGEJ-UHFFFAOYSA-N
XLogP1.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide (CID 55259190) is N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide?
The InChIKey is MZVHYSJTRSTGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-10(2)5-8-16(14,15)13-11(9-12)6-3-4-7-11/h10,13H,3-8H2,1-2H3.
What are the key properties of N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide?
N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide has a molecular weight of 244.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 55259190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).