N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide

C11H21N3OS — CID 112692197

IUPACN-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
SMILESCSCC(C)N(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C11H21N3OS/c1-10(9-16-4)14(3)8-11(15)13(2)7-5-6-12/h10H,5,7-9H2,1-4H3
InChIKeyHFAXUBNBIIAIOP-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.04
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide

N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide (PubChem CID 112692197) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
PubChem CID112692197
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
SMILESCSCC(C)N(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C11H21N3OS/c1-10(9-16-4)14(3)8-11(15)13(2)7-5-6-12/h10H,5,7-9H2,1-4H3
InChIKeyHFAXUBNBIIAIOP-UHFFFAOYSA-N
XLogP1.04
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 112706646
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
4-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 54925440
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
N-(2-cyanoethyl)-3-(3-hydroxybutan-2-ylsulfanyl)-N-methylpropanamide
CID 107770644
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 55412917

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide (CID 112692197) is N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide is CSCC(C)N(C)CC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide?
The InChIKey is HFAXUBNBIIAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-10(9-16-4)14(3)8-11(15)13(2)7-5-6-12/h10H,5,7-9H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide has a molecular weight of 243.38 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide is sourced from PubChem (CID 112692197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).