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

C9H18N2O2S — CID 61123714

IUPACN-(3-cyanopentan-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C#N)(CC)CC
InChIInChI=1S/C9H18N2O2S/c1-4-7-14(12,13)11-9(5-2,6-3)8-10/h11H,4-7H2,1-3H3
InChIKeyWDMGFHVAUWIPBQ-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.40
Rot. Bonds6

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

N-(3-cyanopentan-3-yl)propane-1-sulfonamide (PubChem CID 61123714) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)propane-1-sulfonamide
PubChem CID61123714
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(3-cyanopentan-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C#N)(CC)CC
InChIInChI=1S/C9H18N2O2S/c1-4-7-14(12,13)11-9(5-2,6-3)8-10/h11H,4-7H2,1-3H3
InChIKeyWDMGFHVAUWIPBQ-UHFFFAOYSA-N
XLogP1.40
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.40
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)propane-1-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)propane-1-sulfonamide (CID 61123714) is N-(3-cyanopentan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(C#N)(CC)CC.
What is the InChIKey of N-(3-cyanopentan-3-yl)propane-1-sulfonamide?
The InChIKey is WDMGFHVAUWIPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-4-7-14(12,13)11-9(5-2,6-3)8-10/h11H,4-7H2,1-3H3.
What are the key properties of N-(3-cyanopentan-3-yl)propane-1-sulfonamide?
N-(3-cyanopentan-3-yl)propane-1-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 1.40, 6 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)propane-1-sulfonamide is sourced from PubChem (CID 61123714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).