N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide

C9H18N2O2S — CID 116654802

IUPACN,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCCN(CC)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C9H18N2O2S/c1-3-10(4-2)9(12)11-5-7-14(13)8-6-11/h3-8H2,1-2H3
InChIKeyDMVHEOQLCDGVAH-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.51
Rot. Bonds2

About N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide

N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 116654802) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID116654802
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCCN(CC)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C9H18N2O2S/c1-3-10(4-2)9(12)11-5-7-14(13)8-6-11/h3-8H2,1-2H3
InChIKeyDMVHEOQLCDGVAH-UHFFFAOYSA-N
XLogP0.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide (CID 116654802) is N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide is CCN(CC)C(=O)N1CCS(=O)CC1.
What is the InChIKey of N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is DMVHEOQLCDGVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-10(4-2)9(12)11-5-7-14(13)8-6-11/h3-8H2,1-2H3.
What are the key properties of N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide?
N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 218.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 116654802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).