N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide

C14H26N2O4S2 — CID 136541398

IUPACN-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCCC1(CC)CN(C(=O)N(C)C2CCS(=O)(=O)C2)CCS1=O
InChIInChI=1S/C14H26N2O4S2/c1-4-14(5-2)11-16(7-8-21(14)18)13(17)15(3)12-6-9-22(19,20)10-12/h12H,4-11H2,1-3H3
InChIKeyLZSMFWYJOJDZKS-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.85
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 136541398) has the molecular formula C14H26N2O4S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID136541398
Molecular FormulaC14H26N2O4S2
Molecular Weight350.51 g/mol
Exact Mass350.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCCC1(CC)CN(C(=O)N(C)C2CCS(=O)(=O)C2)CCS1=O
InChIInChI=1S/C14H26N2O4S2/c1-4-14(5-2)11-16(7-8-21(14)18)13(17)15(3)12-6-9-22(19,20)10-12/h12H,4-11H2,1-3H3
InChIKeyLZSMFWYJOJDZKS-UHFFFAOYSA-N
XLogP0.85
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide
CID 108989402
2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618623
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989379
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide
CID 47412407
1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61205598
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110852974
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide (CID 136541398) is N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide is CCC1(CC)CN(C(=O)N(C)C2CCS(=O)(=O)C2)CCS1=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is LZSMFWYJOJDZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S2/c1-4-14(5-2)11-16(7-8-21(14)18)13(17)15(3)12-6-9-22(19,20)10-12/h12H,4-11H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 136541398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).