3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C13H21N3O4S — CID 137336385

IUPAC3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCSCC(=O)N1CCCN(C(=O)CN2CCOC2=O)CC1
InChIInChI=1S/C13H21N3O4S/c1-21-10-12(18)15-4-2-3-14(5-6-15)11(17)9-16-7-8-20-13(16)19/h2-10H2,1H3
InChIKeyAAYBGIMXYWKWJA-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.14
Rot. Bonds4

About 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 137336385) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID137336385
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCSCC(=O)N1CCCN(C(=O)CN2CCOC2=O)CC1
InChIInChI=1S/C13H21N3O4S/c1-21-10-12(18)15-4-2-3-14(5-6-15)11(17)9-16-7-8-20-13(16)19/h2-10H2,1H3
InChIKeyAAYBGIMXYWKWJA-UHFFFAOYSA-N
XLogP-0.14
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137339191
3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one
CID 71974035
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 62023165
1-(azetidin-1-yl)-2-methylsulfanylethanone
CID 128928827
3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 122334428
1-(aziridin-1-yl)-2-methylsulfanylethanone
CID 130677613
6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 137343940
3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 138806611
3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70770021
3-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122339555
3-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 97134718
3-[2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122343245

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 137336385) is 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CSCC(=O)N1CCCN(C(=O)CN2CCOC2=O)CC1.
What is the InChIKey of 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is AAYBGIMXYWKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-21-10-12(18)15-4-2-3-14(5-6-15)11(17)9-16-7-8-20-13(16)19/h2-10H2,1H3.
What are the key properties of 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 315.40 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 137336385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).