4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide

C9H16N2O2S — CID 56541451

IUPAC4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide
SMILESN#CCCCCS(=O)(=O)NCC1CC1
InChIInChI=1S/C9H16N2O2S/c10-6-2-1-3-7-14(12,13)11-8-9-4-5-9/h9,11H,1-5,7-8H2
InChIKeyULCCVHGZIAUZIX-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.01
Rot. Bonds7

About 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide

4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide (PubChem CID 56541451) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide
PubChem CID56541451
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide
SMILESN#CCCCCS(=O)(=O)NCC1CC1
InChIInChI=1S/C9H16N2O2S/c10-6-2-1-3-7-14(12,13)11-8-9-4-5-9/h9,11H,1-5,7-8H2
InChIKeyULCCVHGZIAUZIX-UHFFFAOYSA-N
XLogP1.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide (CID 56541451) is 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide is N#CCCCCS(=O)(=O)NCC1CC1.
What is the InChIKey of 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide?
The InChIKey is ULCCVHGZIAUZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c10-6-2-1-3-7-14(12,13)11-8-9-4-5-9/h9,11H,1-5,7-8H2.
What are the key properties of 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide?
4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide has a molecular weight of 216.31 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 56541451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).