N-(3-cyanopentan-3-yl)butane-1-sulfonamide

C10H20N2O2S — CID 61123915

IUPACN-(3-cyanopentan-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C#N)(CC)CC
InChIInChI=1S/C10H20N2O2S/c1-4-7-8-15(13,14)12-10(5-2,6-3)9-11/h12H,4-8H2,1-3H3
InChIKeyVNSVWIXUDOIVGP-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.79
Rot. Bonds7

About N-(3-cyanopentan-3-yl)butane-1-sulfonamide

N-(3-cyanopentan-3-yl)butane-1-sulfonamide (PubChem CID 61123915) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)butane-1-sulfonamide
PubChem CID61123915
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(3-cyanopentan-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C#N)(CC)CC
InChIInChI=1S/C10H20N2O2S/c1-4-7-8-15(13,14)12-10(5-2,6-3)9-11/h12H,4-8H2,1-3H3
InChIKeyVNSVWIXUDOIVGP-UHFFFAOYSA-N
XLogP1.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
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-(3-cyanopentan-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)butane-1-sulfonamide (CID 61123915) is N-(3-cyanopentan-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(C#N)(CC)CC.
What is the InChIKey of N-(3-cyanopentan-3-yl)butane-1-sulfonamide?
The InChIKey is VNSVWIXUDOIVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-4-7-8-15(13,14)12-10(5-2,6-3)9-11/h12H,4-8H2,1-3H3.
What are the key properties of N-(3-cyanopentan-3-yl)butane-1-sulfonamide?
N-(3-cyanopentan-3-yl)butane-1-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 61123915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).