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

C11H20N2O3S — CID 80519987

IUPACN-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC1CCC1
InChIInChI=1S/C11H20N2O3S/c14-11(13-7-9-2-1-3-9)6-10-8-17(15,16)5-4-12-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyRUQBWXXRYODWRA-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.32
Rot. Bonds4

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

N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80519987) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80519987
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC1CCC1
InChIInChI=1S/C11H20N2O3S/c14-11(13-7-9-2-1-3-9)6-10-8-17(15,16)5-4-12-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyRUQBWXXRYODWRA-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide
CID 80520256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 80520213
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372732
N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520771
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylcyclohexyl)acetamide
CID 80520811
N-(cyclopentylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61370022
N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520002
N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 103461661
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520759
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80519987) is N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is RUQBWXXRYODWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(13-7-9-2-1-3-9)6-10-8-17(15,16)5-4-12-10/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 260.36 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80519987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).