N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide

C13H23N3O4S — CID 162697957

IUPACN-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide
SMILESCSCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(C)=O
InChIInChI=1S/C13H23N3O4S/c1-10(17)6-14(2)11(18)7-15(3)12(19)8-16(4)13(20)9-21-5/h6-9H2,1-5H3
InChIKeyDVGSYWXKJQPFDY-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.69
Rot. Bonds8

About N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide

N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide (PubChem CID 162697957) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide
PubChem CID162697957
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide
SMILESCSCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(C)=O
InChIInChI=1S/C13H23N3O4S/c1-10(17)6-14(2)11(18)7-15(3)12(19)8-16(4)13(20)9-21-5/h6-9H2,1-5H3
InChIKeyDVGSYWXKJQPFDY-UHFFFAOYSA-N
XLogP-0.69
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide?
The IUPAC name of N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide (CID 162697957) is N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide?
The canonical SMILES for N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide is CSCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(C)=O.
What is the InChIKey of N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide?
The InChIKey is DVGSYWXKJQPFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-10(17)6-14(2)11(18)7-15(3)12(19)8-16(4)13(20)9-21-5/h6-9H2,1-5H3.
What are the key properties of N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide?
N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of -0.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 162697957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).