2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide

C8H14N2OS — CID 63959776

IUPAC2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)CNC(=O)CC#N
InChIInChI=1S/C8H14N2OS/c1-7(6-12-2)5-10-8(11)3-4-9/h7H,3,5-6H2,1-2H3,(H,10,11)
InChIKeyUMFGFYHSDRZNFO-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.02
Rot. Bonds5

About 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide

2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 63959776) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID63959776
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)CNC(=O)CC#N
InChIInChI=1S/C8H14N2OS/c1-7(6-12-2)5-10-8(11)3-4-9/h7H,3,5-6H2,1-2H3,(H,10,11)
InChIKeyUMFGFYHSDRZNFO-UHFFFAOYSA-N
XLogP1.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-N'-(2-methyl-3-methylsulfanylpropyl)oxamide
CID 63959995
N-(2-aminopropyl)-2-cyanoacetamide
CID 117126576
N-(2-methyl-3-methylsulfanylpropyl)-3-oxobutanamide
CID 63960200
2-cyano-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 104696948
2-cyano-N-[3-[(2-cyanoacetyl)amino]-2-hydroxypropyl]acetamide
CID 11550341
5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
CID 107910118
6-[(2-methyl-3-methylsulfanylpropyl)amino]-6-oxohexanoic acid
CID 63980810
2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959775
propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
CID 116656155
2-(cyclopropylamino)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63960182
methyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]-2-oxoacetate
CID 112617288
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide (CID 63959776) is 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)CNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is UMFGFYHSDRZNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7(6-12-2)5-10-8(11)3-4-9/h7H,3,5-6H2,1-2H3,(H,10,11).
What are the key properties of 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide?
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 186.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 63959776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).