N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C12H23N3O4S — CID 127336878

IUPACN-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOCCN1CCC(NC(=O)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H23N3O4S/c1-19-7-4-14-3-2-11(10-14)13-12(16)15-5-8-20(17,18)9-6-15/h11H,2-10H2,1H3,(H,13,16)
InChIKeyDVYNAOFNLHZYCE-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.85
Rot. Bonds4

About N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 127336878) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID127336878
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOCCN1CCC(NC(=O)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H23N3O4S/c1-19-7-4-14-3-2-11(10-14)13-12(16)15-5-8-20(17,18)9-6-15/h11H,2-10H2,1H3,(H,13,16)
InChIKeyDVYNAOFNLHZYCE-UHFFFAOYSA-N
XLogP-0.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 115608976
3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide
CID 119879163
1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879160
2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
CID 95616399
2,2-dimethylpropane;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]acetamide
CID 143432869
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119150765
1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 119150767
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95573046
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
3-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-methyl-1-(4-nitrophenyl)urea
CID 97061504

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 127336878) is N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is COCCN1CCC(NC(=O)N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is DVYNAOFNLHZYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-19-7-4-14-3-2-11(10-14)13-12(16)15-5-8-20(17,18)9-6-15/h11H,2-10H2,1H3,(H,13,16).
What are the key properties of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 127336878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).