2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide

C10H16N4O3S — CID 47205415

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H16N4O3S/c1-13-3-2-9(12-13)11-10(15)8-14-4-6-18(16,17)7-5-14/h2-3H,4-8H2,1H3,(H,11,12,15)
InChIKeyJCPLBDHEQCCQOO-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.91
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 47205415) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID47205415
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H16N4O3S/c1-13-3-2-9(12-13)11-10(15)8-14-4-6-18(16,17)7-5-14/h2-3H,4-8H2,1H3,(H,11,12,15)
InChIKeyJCPLBDHEQCCQOO-UHFFFAOYSA-N
XLogP-0.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-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-(2-methoxyethylsulfanyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 45812149
3-[3-[[2-(Diethylamino)acetyl]amino]pyrazol-1-yl]propanamide
CID 72010495
N-(1-methyl-1H-pyrazol-3-yl)-2-{4-[(methylthio)methyl]piperidin-1-yl}acetamide
CID 91840957
N-[1-(2-ethylsulfonylethyl)pyrazol-3-yl]-4,4-difluoropyrrolidine-2-carboxamide
CID 120350144
2-[[1-(thian-4-yl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 167747677
N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-3-sulfanylpropanamide
CID 177680919
N,N-dimethyl-3-[3-(3-sulfanylpropanoylamino)pyrazol-1-yl]propanamide
CID 177680988
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681397
1-(1-Methylpyrazol-3-yl)piperazin-2-one
CID 79487286
N-methyl-3-[3-(2-oxopiperazin-1-yl)pyrazol-1-yl]propanamide
CID 171550670
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetamide
CID 16382203
1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 18092776

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide (CID 47205415) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)CN2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is JCPLBDHEQCCQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-13-3-2-9(12-13)11-10(15)8-14-4-6-18(16,17)7-5-14/h2-3H,4-8H2,1H3,(H,11,12,15).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 272.33 g/mol, XLogP of -0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 47205415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).