N-(cyanomethyl)propane-1-sulfonamide

C5H10N2O2S — CID 22890470

IUPACN-(cyanomethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC#N
InChIInChI=1S/C5H10N2O2S/c1-2-5-10(8,9)7-4-3-6/h7H,2,4-5H2,1H3
InChIKeyWMCSMINIOLMNOO-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.16
Rot. Bonds4

About N-(cyanomethyl)propane-1-sulfonamide

N-(cyanomethyl)propane-1-sulfonamide (PubChem CID 22890470) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-(cyanomethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)propane-1-sulfonamide
PubChem CID22890470
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-(cyanomethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC#N
InChIInChI=1S/C5H10N2O2S/c1-2-5-10(8,9)7-4-3-6/h7H,2,4-5H2,1H3
InChIKeyWMCSMINIOLMNOO-UHFFFAOYSA-N
XLogP-0.16
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methylbutane-1-sulfonamide
CID 61456555
4-cyano-N-methylbutane-1-sulfonamide
CID 71699857
N-ethylethane-1-sulfonamide
CID 3302035
N-(3-aminopropyl)ethane-1-sulfonamide
CID 24702447
1-Aminopropane-2-sulfonamide hydrochloride
CID 71432993
3-amino-N-methylpropane-1-sulfonamide hydrochloride
CID 86628390
3-Amino-2,2-dimethylpropane-1-sulfonamide
CID 87766169
3-Aminopropane-1-sulfonamide
CID 13343446
1-Aminopropane-2-sulfonamide
CID 65552726
(S)-1-Amino-N-methylpropane-2-sulfonamide hydrochloride
CID 165652573
(R)-1-Amino-N-methylpropane-2-sulfonamide hydrochloride
CID 165652880
n-butyl-N-n-propylsulfonamide
CID 19681138

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)propane-1-sulfonamide?
The IUPAC name of N-(cyanomethyl)propane-1-sulfonamide (CID 22890470) is N-(cyanomethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(cyanomethyl)propane-1-sulfonamide?
The canonical SMILES for N-(cyanomethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)propane-1-sulfonamide?
The InChIKey is WMCSMINIOLMNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-2-5-10(8,9)7-4-3-6/h7H,2,4-5H2,1H3.
What are the key properties of N-(cyanomethyl)propane-1-sulfonamide?
N-(cyanomethyl)propane-1-sulfonamide has a molecular weight of 162.21 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)propane-1-sulfonamide is sourced from PubChem (CID 22890470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).