N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide

C10H17N3O4S — CID 114232257

IUPACN-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide
SMILESCNC(=O)CS(=O)(=O)CCC(=O)N(C)CCC#N
InChIInChI=1S/C10H17N3O4S/c1-12-9(14)8-18(16,17)7-4-10(15)13(2)6-3-5-11/h3-4,6-8H2,1-2H3,(H,12,14)
InChIKeyKKWGUOATVXLLOB-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.09
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide

N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide (PubChem CID 114232257) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide
PubChem CID114232257
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide
SMILESCNC(=O)CS(=O)(=O)CCC(=O)N(C)CCC#N
InChIInChI=1S/C10H17N3O4S/c1-12-9(14)8-18(16,17)7-4-10(15)13(2)6-3-5-11/h3-4,6-8H2,1-2H3,(H,12,14)
InChIKeyKKWGUOATVXLLOB-UHFFFAOYSA-N
XLogP-1.09
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]sulfonylpropanoate
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N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
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CID 60707481
N-butyl-2-(2-cyanoethylsulfonyl)-N-methylacetamide
CID 82181522
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
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N-(2-cyanoethyl)-N-methylpropanamide
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2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
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5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide (CID 114232257) is N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide is CNC(=O)CS(=O)(=O)CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide?
The InChIKey is KKWGUOATVXLLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-12-9(14)8-18(16,17)7-4-10(15)13(2)6-3-5-11/h3-4,6-8H2,1-2H3,(H,12,14).
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide?
N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide has a molecular weight of 275.33 g/mol, XLogP of -1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide is sourced from PubChem (CID 114232257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).