N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide

C10H20N2O2S2 — CID 115746776

IUPACN-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
SMILESCCS(=O)CCNC(=O)CC1CSCCN1
InChIInChI=1S/C10H20N2O2S2/c1-2-16(14)6-4-12-10(13)7-9-8-15-5-3-11-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyVDQZQHSKFJJCJH-UHFFFAOYSA-N
MW264.42 g/mol
LogP-0.03
Rot. Bonds6

About N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide

N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 115746776) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID115746776
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC NameN-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
SMILESCCS(=O)CCNC(=O)CC1CSCCN1
InChIInChI=1S/C10H20N2O2S2/c1-2-16(14)6-4-12-10(13)7-9-8-15-5-3-11-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyVDQZQHSKFJJCJH-UHFFFAOYSA-N
XLogP-0.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 66420455
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 114467849
N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940421
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
ethyl 4-[(2-thiomorpholin-3-ylacetyl)amino]butanoate
CID 66419936
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide (CID 115746776) is N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide is CCS(=O)CCNC(=O)CC1CSCCN1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is VDQZQHSKFJJCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-2-16(14)6-4-12-10(13)7-9-8-15-5-3-11-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide?
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 264.42 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 115746776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).