N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide

C8H14N2O3S — CID 63297028

IUPACN-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
SMILESCC(CC#N)N(C)C(=O)CS(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-7(4-5-9)10(2)8(11)6-14(3,12)13/h7H,4,6H2,1-3H3
InChIKeyKOFYINNNAYUAIN-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.21
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide

N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide (PubChem CID 63297028) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
PubChem CID63297028
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
SMILESCC(CC#N)N(C)C(=O)CS(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-7(4-5-9)10(2)8(11)6-14(3,12)13/h7H,4,6H2,1-3H3
InChIKeyKOFYINNNAYUAIN-UHFFFAOYSA-N
XLogP-0.21
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015069
N-(1-cyanopropan-2-yl)-N-methyldodecanamide
CID 63296980
4-chloro-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63308494
2-bromo-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63224173
2-chloro-N-(1-cyanopropan-2-yl)-N-methylpropanamide
CID 63224261
N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide
CID 103020178
N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide
CID 63224542
4-[1-cyanopropan-2-yl(methyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 63223026
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
2-(2-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63222105
N-(cyanomethyl)-N-ethyl-2-methylsulfonylacetamide
CID 62046057
N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429996

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide (CID 63297028) is N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide is CC(CC#N)N(C)C(=O)CS(C)(=O)=O.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide?
The InChIKey is KOFYINNNAYUAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-7(4-5-9)10(2)8(11)6-14(3,12)13/h7H,4,6H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide?
N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide has a molecular weight of 218.28 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide is sourced from PubChem (CID 63297028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).