N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide

C9H16N2O3S — CID 110687634

IUPACN-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide
SMILESO=C(CN1CCCCS1(=O)=O)NC1CC1
InChIInChI=1S/C9H16N2O3S/c12-9(10-8-3-4-8)7-11-5-1-2-6-15(11,13)14/h8H,1-7H2,(H,10,12)
InChIKeyIEQYPXJIXOHUBA-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.31
Rot. Bonds3

About N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide

N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide (PubChem CID 110687634) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide
PubChem CID110687634
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide
SMILESO=C(CN1CCCCS1(=O)=O)NC1CC1
InChIInChI=1S/C9H16N2O3S/c12-9(10-8-3-4-8)7-11-5-1-2-6-15(11,13)14/h8H,1-7H2,(H,10,12)
InChIKeyIEQYPXJIXOHUBA-UHFFFAOYSA-N
XLogP-0.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide 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

2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide
CID 14668524
N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638
N-(3,4-dihydro-2H-chromen-3-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 78901044
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78898081
N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 136540557
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547784
N-[4-(dimethylamino)phenyl]-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687775
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459993
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962419
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348327

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide (CID 110687634) is N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide is O=C(CN1CCCCS1(=O)=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide?
The InChIKey is IEQYPXJIXOHUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c12-9(10-8-3-4-8)7-11-5-1-2-6-15(11,13)14/h8H,1-7H2,(H,10,12).
What are the key properties of N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide?
N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide has a molecular weight of 232.30 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide is sourced from PubChem (CID 110687634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).