N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide

C13H26N2O3S — CID 104520835

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-10(2)8-13(3,9-14)15-12(16)11-6-4-5-7-19(11,17)18/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyFGOHQDMNCWERFL-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.83
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide (PubChem CID 104520835) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide
PubChem CID104520835
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-10(2)8-13(3,9-14)15-12(16)11-6-4-5-7-19(11,17)18/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyFGOHQDMNCWERFL-UHFFFAOYSA-N
XLogP0.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
CID 119599741
N-(1-amino-2,4-dimethylpentan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81486220
N-(1-chloro-3-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114153050
N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide
CID 104520827
N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
N-(1-amino-4-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114178123
N-(1-amino-2,4-dimethylpentan-2-yl)-2,2-dicyclopropylacetamide
CID 112745073
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119599561
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119597802
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119599783
N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide
CID 106737660
N-(4-chlorobutan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104522465

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide (CID 104520835) is N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide is CC(C)CC(C)(CN)NC(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide?
The InChIKey is FGOHQDMNCWERFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-10(2)8-13(3,9-14)15-12(16)11-6-4-5-7-19(11,17)18/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104520835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).