N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C17H31N3O4S — CID 55519093

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCC(C)C(CNC(=O)CSCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C17H31N3O4S/c1-14(2)15(19-3-7-23-8-4-19)11-18-16(21)12-25-13-17(22)20-5-9-24-10-6-20/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyJMJSUNTWWQEJHV-UHFFFAOYSA-N
MW373.52 g/mol
LogP0.05
Rot. Bonds8

About N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 55519093) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID55519093
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCC(C)C(CNC(=O)CSCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C17H31N3O4S/c1-14(2)15(19-3-7-23-8-4-19)11-18-16(21)12-25-13-17(22)20-5-9-24-10-6-20/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyJMJSUNTWWQEJHV-UHFFFAOYSA-N
XLogP0.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 55519093) is N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CC(C)C(CNC(=O)CSCC(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is JMJSUNTWWQEJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-14(2)15(19-3-7-23-8-4-19)11-18-16(21)12-25-13-17(22)20-5-9-24-10-6-20/h14-15H,3-13H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 373.52 g/mol, XLogP of 0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 55519093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).