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

C10H20N2O3S2 — CID 66420084

IUPACN-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESCS(=O)(=O)CCCNC(=O)CC1CSCCN1
InChIInChI=1S/C10H20N2O3S2/c1-17(14,15)6-2-3-12-10(13)7-9-8-16-5-4-11-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyGGFWPAAUZCXXRO-UHFFFAOYSA-N
MW280.41 g/mol
LogP-0.37
Rot. Bonds6

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

N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420084) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420084
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC NameN-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESCS(=O)(=O)CCCNC(=O)CC1CSCCN1
InChIInChI=1S/C10H20N2O3S2/c1-17(14,15)6-2-3-12-10(13)7-9-8-16-5-4-11-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyGGFWPAAUZCXXRO-UHFFFAOYSA-N
XLogP-0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide (CID 66420084) is N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide is CS(=O)(=O)CCCNC(=O)CC1CSCCN1.
What is the InChIKey of N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is GGFWPAAUZCXXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-17(14,15)6-2-3-12-10(13)7-9-8-16-5-4-11-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide?
N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 280.41 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).