N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide

C10H18N2O3S2 — CID 66422198

IUPACN-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S2/c13-10(5-9-6-16-3-2-11-9)12-8-1-4-17(14,15)7-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyTZZRMPYLHXPJJD-UHFFFAOYSA-N
MW278.40 g/mol
LogP-0.62
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide

N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66422198) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66422198
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S2/c13-10(5-9-6-16-3-2-11-9)12-8-1-4-17(14,15)7-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyTZZRMPYLHXPJJD-UHFFFAOYSA-N
XLogP-0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1,1-dioxothiolan-3-yl)-2-piperidin-2-ylacetamide
CID 43151243
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66420914
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-(1,1-dioxothiolan-3-yl)-2-piperidin-4-ylacetamide
CID 24700012
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
2-[(1,1-dioxothiolan-3-yl)-(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66423067
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935274
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide (CID 66422198) is N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is TZZRMPYLHXPJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c13-10(5-9-6-16-3-2-11-9)12-8-1-4-17(14,15)7-8/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).