N-(1-cyanopropan-2-yl)methanesulfinamide

C5H10N2OS — CID 130892472

IUPACN-(1-cyanopropan-2-yl)methanesulfinamide
SMILESCC(CC#N)NS(C)=O
InChIInChI=1S/C5H10N2OS/c1-5(3-4-6)7-9(2)8/h5,7H,3H2,1-2H3
InChIKeyKQGGYYVMBDLZIQ-UHFFFAOYSA-N
MW146.22 g/mol
LogP0.17
Rot. Bonds3

About N-(1-cyanopropan-2-yl)methanesulfinamide

N-(1-cyanopropan-2-yl)methanesulfinamide (PubChem CID 130892472) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)methanesulfinamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)methanesulfinamide
PubChem CID130892472
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC NameN-(1-cyanopropan-2-yl)methanesulfinamide
SMILESCC(CC#N)NS(C)=O
InChIInChI=1S/C5H10N2OS/c1-5(3-4-6)7-9(2)8/h5,7H,3H2,1-2H3
InChIKeyKQGGYYVMBDLZIQ-UHFFFAOYSA-N
XLogP0.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-cyanobutan-2-yl]azanium;methanesulfonate
CID 11435489
N-[(2R)-1-cyanopropan-2-yl]methanesulfonamide
CID 118606326
N-(N,S-dimethylsulfonimidoyl)propan-2-amine
CID 122496142
N-(methylsulfonimidoyl)propan-2-amine
CID 146825295
2-(Methylsulfanylamino)butanenitrile
CID 156697996
[Methyl-oxo-(propan-2-ylamino)-lambda6-sulfanylidene]cyanamide
CID 162698781
N-(1-cyanopropyl)methanesulfonamide
CID 15467288
N-(1-cyanobutyl)methanesulfonamide
CID 61124458
N-(1-cyanoethyl)methanesulfonamide
CID 61124635
N-(1-cyanopropan-2-yl)methanesulfonamide
CID 62094618
N-(1-cyanobutan-2-yl)methanesulfonamide
CID 62647599
N-[(1S)-1-cyanoethyl]methanesulfonamide
CID 93594383

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)methanesulfinamide?
The IUPAC name of N-(1-cyanopropan-2-yl)methanesulfinamide (CID 130892472) is N-(1-cyanopropan-2-yl)methanesulfinamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)methanesulfinamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)methanesulfinamide is CC(CC#N)NS(C)=O.
What is the InChIKey of N-(1-cyanopropan-2-yl)methanesulfinamide?
The InChIKey is KQGGYYVMBDLZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-5(3-4-6)7-9(2)8/h5,7H,3H2,1-2H3.
What are the key properties of N-(1-cyanopropan-2-yl)methanesulfinamide?
N-(1-cyanopropan-2-yl)methanesulfinamide has a molecular weight of 146.22 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)methanesulfinamide is sourced from PubChem (CID 130892472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).