2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide

C10H16N2OS — CID 107299434

IUPAC2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide
SMILESCSC1(CNC(=O)C(C)(C)C#N)CC1
InChIInChI=1S/C10H16N2OS/c1-9(2,6-11)8(13)12-7-10(14-3)4-5-10/h4-5,7H2,1-3H3,(H,12,13)
InChIKeyBGEBBWKYBRDBCI-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.55
Rot. Bonds4

About 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide

2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide (PubChem CID 107299434) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide
PubChem CID107299434
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide
SMILESCSC1(CNC(=O)C(C)(C)C#N)CC1
InChIInChI=1S/C10H16N2OS/c1-9(2,6-11)8(13)12-7-10(14-3)4-5-10/h4-5,7H2,1-3H3,(H,12,13)
InChIKeyBGEBBWKYBRDBCI-UHFFFAOYSA-N
XLogP1.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide (CID 107299434) is 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide is CSC1(CNC(=O)C(C)(C)C#N)CC1.
What is the InChIKey of 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide?
The InChIKey is BGEBBWKYBRDBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-9(2,6-11)8(13)12-7-10(14-3)4-5-10/h4-5,7H2,1-3H3,(H,12,13).
What are the key properties of 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide?
2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide has a molecular weight of 212.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 107299434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).