N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide

C12H22N2OS2 — CID 114116108

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCSC1(CNC(=O)CC2CSCCN2)CCC1
InChIInChI=1S/C12H22N2OS2/c1-16-12(3-2-4-12)9-14-11(15)7-10-8-17-6-5-13-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyHKVGQOGKEHGCEU-UHFFFAOYSA-N
MW274.45 g/mol
LogP1.48
Rot. Bonds5

About N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 114116108) has the molecular formula C12H22N2OS2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID114116108
Molecular FormulaC12H22N2OS2
Molecular Weight274.45 g/mol
Exact Mass274.12
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCSC1(CNC(=O)CC2CSCCN2)CCC1
InChIInChI=1S/C12H22N2OS2/c1-16-12(3-2-4-12)9-14-11(15)7-10-8-17-6-5-13-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyHKVGQOGKEHGCEU-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940566
N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422108
N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 114116236
N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940106
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422109
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940507
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119935290
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119805571
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-thiomorpholin-3-ylacetamide
CID 114163723
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 114116108) is N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide is CSC1(CNC(=O)CC2CSCCN2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is HKVGQOGKEHGCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS2/c1-16-12(3-2-4-12)9-14-11(15)7-10-8-17-6-5-13-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 274.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 114116108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).