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

C12H17N3O3S — CID 80519850

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCc1ccccn1
InChIInChI=1S/C12H17N3O3S/c16-12(15-8-10-3-1-2-4-13-10)7-11-9-19(17,18)6-5-14-11/h1-4,11,14H,5-9H2,(H,15,16)
InChIKeyCEFDQOUUHNXREV-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.53
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 80519850) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID80519850
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCc1ccccn1
InChIInChI=1S/C12H17N3O3S/c16-12(15-8-10-3-1-2-4-13-10)7-11-9-19(17,18)6-5-14-11/h1-4,11,14H,5-9H2,(H,15,16)
InChIKeyCEFDQOUUHNXREV-UHFFFAOYSA-N
XLogP-0.53
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 86907941
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520515
N-(2-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519806
N-(1,3-benzothiazol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520523
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 80520928
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 80522006
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 80520792
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 106302492
N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-(pyridin-2-ylmethyl)propanediamide
CID 108947458
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 80518129
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81410503
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 80519850) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCc1ccccn1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is CEFDQOUUHNXREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-12(15-8-10-3-1-2-4-13-10)7-11-9-19(17,18)6-5-14-11/h1-4,11,14H,5-9H2,(H,15,16).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 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-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 80519850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).