3-(1-cyanoethylsulfinyl)propanamide

C6H10N2O2S — CID 131227711

IUPAC3-(1-cyanoethylsulfinyl)propanamide
SMILESCC(C#N)S(=O)CCC(N)=O
InChIInChI=1S/C6H10N2O2S/c1-5(4-7)11(10)3-2-6(8)9/h5H,2-3H2,1H3,(H2,8,9)
InChIKeyPGAYZUBIHRRAOD-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.48
Rot. Bonds4

About 3-(1-cyanoethylsulfinyl)propanamide

3-(1-cyanoethylsulfinyl)propanamide (PubChem CID 131227711) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 3-(1-cyanoethylsulfinyl)propanamide.

Molecular Properties

Compound Name3-(1-cyanoethylsulfinyl)propanamide
PubChem CID131227711
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name3-(1-cyanoethylsulfinyl)propanamide
SMILESCC(C#N)S(=O)CCC(N)=O
InChIInChI=1S/C6H10N2O2S/c1-5(4-7)11(10)3-2-6(8)9/h5H,2-3H2,1H3,(H2,8,9)
InChIKeyPGAYZUBIHRRAOD-UHFFFAOYSA-N
XLogP-0.48
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-amino-3-oxopropyl)sulfinylbutanoate
CID 66115093
6-cyano-4-methylhexanamide
CID 87903617
1-cyanoethanesulfinate
CID 57151458
10-cyanodecanamide
CID 87916786
2-(2-aminopropylsulfinyl)propanamide
CID 81188607
3-propan-2-ylsulfinylpropanethioic S-acid
CID 88749489
5,5-dimethylhexanamide;2-methylpropane
CID 161490551
2-(3-cyano-3-methylbutyl)sulfinylpropanoic acid
CID 65252348
4-cyanoundecanamide
CID 71433018
3-[(S)-octylsulfinyl]propanamide
CID 98083877
(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide
CID 55284755
2,2-dicyanoethyl 2-methylpropanoate
CID 167103926

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyanoethylsulfinyl)propanamide?
The IUPAC name of 3-(1-cyanoethylsulfinyl)propanamide (CID 131227711) is 3-(1-cyanoethylsulfinyl)propanamide.
What is the SMILES notation for 3-(1-cyanoethylsulfinyl)propanamide?
The canonical SMILES for 3-(1-cyanoethylsulfinyl)propanamide is CC(C#N)S(=O)CCC(N)=O.
What is the InChIKey of 3-(1-cyanoethylsulfinyl)propanamide?
The InChIKey is PGAYZUBIHRRAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-5(4-7)11(10)3-2-6(8)9/h5H,2-3H2,1H3,(H2,8,9).
What are the key properties of 3-(1-cyanoethylsulfinyl)propanamide?
3-(1-cyanoethylsulfinyl)propanamide has a molecular weight of 174.22 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyanoethylsulfinyl)propanamide is sourced from PubChem (CID 131227711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).