4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one

C9H15N3OS — CID 83871168

IUPAC4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESCc1c(CC2CSCCN2)[nH][nH]c1=O
InChIInChI=1S/C9H15N3OS/c1-6-8(11-12-9(6)13)4-7-5-14-3-2-10-7/h7,10H,2-5H2,1H3,(H2,11,12,13)
InChIKeyFNIKDLDPVGFOBK-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.26
Rot. Bonds2

About 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one

4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one (PubChem CID 83871168) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one
PubChem CID83871168
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESCc1c(CC2CSCCN2)[nH][nH]c1=O
InChIInChI=1S/C9H15N3OS/c1-6-8(11-12-9(6)13)4-7-5-14-3-2-10-7/h7,10H,2-5H2,1H3,(H2,11,12,13)
InChIKeyFNIKDLDPVGFOBK-UHFFFAOYSA-N
XLogP0.26
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one 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

4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one
CID 83856954
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82916858
3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
3-(bromomethyl)thiomorpholine
CID 119096156
3-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiomorpholine
CID 66442912
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine
CID 66422771
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113291096
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one (CID 83871168) is 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one is Cc1c(CC2CSCCN2)[nH][nH]c1=O.
What is the InChIKey of 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is FNIKDLDPVGFOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-8(11-12-9(6)13)4-7-5-14-3-2-10-7/h7,10H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one?
4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 213.31 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 83871168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).