1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide

C8H16N2O3S — CID 71036856

IUPAC1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide
SMILESCC(C)NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(2)9-8(11)10-3-5-14(12,13)6-4-10/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyNBZLVRITMOWQDH-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.17
Rot. Bonds1

About 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide

1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide (PubChem CID 71036856) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide
PubChem CID71036856
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide
SMILESCC(C)NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(2)9-8(11)10-3-5-14(12,13)6-4-10/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyNBZLVRITMOWQDH-UHFFFAOYSA-N
XLogP-0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide?
The IUPAC name of 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide (CID 71036856) is 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide is CC(C)NC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide?
The InChIKey is NBZLVRITMOWQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(2)9-8(11)10-3-5-14(12,13)6-4-10/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide?
1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-propan-2-yl-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 71036856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).