N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide

C8H16N2O3S — CID 63290096

IUPACN-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(C)C#N
InChIInChI=1S/C8H16N2O3S/c1-8(6-9)7-10-14(11,12)5-3-4-13-2/h8,10H,3-5,7H2,1-2H3
InChIKeyPYPMCSSVWPSCEH-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.10
Rot. Bonds7

About N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide

N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide (PubChem CID 63290096) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
PubChem CID63290096
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(C)C#N
InChIInChI=1S/C8H16N2O3S/c1-8(6-9)7-10-14(11,12)5-3-4-13-2/h8,10H,3-5,7H2,1-2H3
InChIKeyPYPMCSSVWPSCEH-UHFFFAOYSA-N
XLogP0.10
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302785
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 103731723
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
CID 104936720
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
2-methyl-3-(methylsulfamoylamino)propanenitrile
CID 114807843

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide (CID 63290096) is N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is PYPMCSSVWPSCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-8(6-9)7-10-14(11,12)5-3-4-13-2/h8,10H,3-5,7H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide?
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 220.29 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63290096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).