N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C13H25N3O4S — CID 127336843

IUPACN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1(C)COCCN1CCNC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H25N3O4S/c1-13(2)11-20-8-5-16(13)4-3-14-12(17)15-6-9-21(18,19)10-7-15/h3-11H2,1-2H3,(H,14,17)
InChIKeyLNWUXZLOGKONSH-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.46
Rot. Bonds3

About N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 127336843) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID127336843
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1(C)COCCN1CCNC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H25N3O4S/c1-13(2)11-20-8-5-16(13)4-3-14-12(17)15-6-9-21(18,19)10-7-15/h3-11H2,1-2H3,(H,14,17)
InChIKeyLNWUXZLOGKONSH-UHFFFAOYSA-N
XLogP-0.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 166190253
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119876424
1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119876411
(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 119876449
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119876458
1-cyclopropyl-3-[2-(3,3-dimethylmorpholin-4-yl)ethyl]urea
CID 167975261
3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503703
3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 126783238
1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]urea
CID 166190211
methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate
CID 61433080
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119876472

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 127336843) is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC1(C)COCCN1CCNC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is LNWUXZLOGKONSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-13(2)11-20-8-5-16(13)4-3-14-12(17)15-6-9-21(18,19)10-7-15/h3-11H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 127336843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).