N-cyanopropane-1-sulfonamide

C4H8N2O2S — CID 90801452

IUPACN-cyanopropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC#N
InChIInChI=1S/C4H8N2O2S/c1-2-3-9(7,8)6-4-5/h6H,2-3H2,1H3
InChIKeyDPDCMUZBDZYAON-UHFFFAOYSA-N
MW148.19 g/mol
LogP-0.20
Rot. Bonds3

About N-cyanopropane-1-sulfonamide

N-cyanopropane-1-sulfonamide (PubChem CID 90801452) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is N-cyanopropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyanopropane-1-sulfonamide
PubChem CID90801452
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC NameN-cyanopropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC#N
InChIInChI=1S/C4H8N2O2S/c1-2-3-9(7,8)6-4-5/h6H,2-3H2,1H3
InChIKeyDPDCMUZBDZYAON-UHFFFAOYSA-N
XLogP-0.20
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

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CID 21473173
2-Butylsulfonylguanidine
CID 129801686
N-(aminomethyl)butane-1-sulfonamide
CID 20715247
N-carbamimidoylpropane-2-sulfonamide
CID 57589885
N-cyanocyclopropanesulfonamide
CID 87630538
2-Pentylsulfonylguanidine
CID 87966228
N-cyanoethanesulfonamide
CID 88172655
N-cyanoheptane-1-sulfonamide
CID 90711882
N-cyanohexane-1-sulfonamide
CID 90944559
N-cyanobutane-1-sulfonamide
CID 91198956
N-cyanopentane-1-sulfonamide
CID 91424955
N-cyano-2-methylpropane-2-sulfonamide
CID 122631174

Frequently Asked Questions

What is the IUPAC name of N-cyanopropane-1-sulfonamide?
The IUPAC name of N-cyanopropane-1-sulfonamide (CID 90801452) is N-cyanopropane-1-sulfonamide.
What is the SMILES notation for N-cyanopropane-1-sulfonamide?
The canonical SMILES for N-cyanopropane-1-sulfonamide is CCCS(=O)(=O)NC#N.
What is the InChIKey of N-cyanopropane-1-sulfonamide?
The InChIKey is DPDCMUZBDZYAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-2-3-9(7,8)6-4-5/h6H,2-3H2,1H3.
What are the key properties of N-cyanopropane-1-sulfonamide?
N-cyanopropane-1-sulfonamide has a molecular weight of 148.19 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyanopropane-1-sulfonamide is sourced from PubChem (CID 90801452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).