2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

C13H25N3O3S — CID 80522002

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN(CC1CCCN1C)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C13H25N3O3S/c1-15-6-3-4-12(15)9-16(2)13(17)8-11-10-20(18,19)7-5-14-11/h11-12,14H,3-10H2,1-2H3
InChIKeyNLGXSCWQWMHEFE-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.68
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 80522002) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
PubChem CID80522002
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN(CC1CCCN1C)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C13H25N3O3S/c1-15-6-3-4-12(15)9-16(2)13(17)8-11-10-20(18,19)7-5-14-11/h11-12,14H,3-10H2,1-2H3
InChIKeyNLGXSCWQWMHEFE-UHFFFAOYSA-N
XLogP-0.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]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-1,4-thiazinan-3-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 80520145
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 80520161
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-2-ylpropanamide
CID 79314839
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 80520117
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 79314743
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110852974
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
CID 80516039
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915347
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 80519990

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (CID 80522002) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is CN(CC1CCCN1C)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is NLGXSCWQWMHEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-15-6-3-4-12(15)9-16(2)13(17)8-11-10-20(18,19)7-5-14-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 80522002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).