N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide

C10H20N2O3S2 — CID 66420132

IUPACN-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC(CS(C)(=O)=O)NC(=O)CC1CSCCN1
InChIInChI=1S/C10H20N2O3S2/c1-8(7-17(2,14)15)12-10(13)5-9-6-16-4-3-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyFXMXJQVVRXHUCR-UHFFFAOYSA-N
MW280.41 g/mol
LogP-0.37
Rot. Bonds5

About N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide

N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420132) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420132
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC(CS(C)(=O)=O)NC(=O)CC1CSCCN1
InChIInChI=1S/C10H20N2O3S2/c1-8(7-17(2,14)15)12-10(13)5-9-6-16-4-3-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyFXMXJQVVRXHUCR-UHFFFAOYSA-N
XLogP-0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide 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

(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80516171
N-butyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80516421
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80519788
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 80519941
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 80520036
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 80520152
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 80520179
N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80520196
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 80520832
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 80520856
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 105937716

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide (CID 66420132) is N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide is CC(CS(C)(=O)=O)NC(=O)CC1CSCCN1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is FXMXJQVVRXHUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-8(7-17(2,14)15)12-10(13)5-9-6-16-4-3-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 280.41 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).