N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide

C10H20N2O3S — CID 104520827

IUPACN-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide
SMILESCC(C)(N)CNC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-10(2,11)7-12-9(13)8-5-3-4-6-16(8,14)15/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyJDZSWHYOAFQLON-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.19
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide

N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide (PubChem CID 104520827) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide
PubChem CID104520827
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide
SMILESCC(C)(N)CNC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-10(2,11)7-12-9(13)8-5-3-4-6-16(8,14)15/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyJDZSWHYOAFQLON-UHFFFAOYSA-N
XLogP-0.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-1,1-dioxothiane-2-carboxamide
CID 104921175
3-[(1,1-dioxothiane-2-carbonyl)amino]propanoic acid
CID 104517400
N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide
CID 104522509
N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxothiane-2-carboxamide
CID 104521751
N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide
CID 164655113
N-(3-chloropropyl)-1,1-dioxothiane-2-carboxamide
CID 104520193
N-(4-hydroxybutyl)-1,1-dioxothiane-2-carboxamide
CID 106843204
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104520835
N-(2-cyanopropyl)-1,1-dioxothiane-2-carboxamide
CID 104519277
1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide
CID 104521843
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide
CID 164654059
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-2-carboxamide
CID 104522379

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide (CID 104520827) is N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide is CC(C)(N)CNC(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide?
The InChIKey is JDZSWHYOAFQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2,11)7-12-9(13)8-5-3-4-6-16(8,14)15/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide?
N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide has a molecular weight of 248.35 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104520827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).