N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide

C11H22N2O3S — CID 79652406

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,7-12)8-13(3)10(14)9-4-5-17(15,16)6-9/h9H,4-8,12H2,1-3H3
InChIKeyMOSSNUVTGUBYKB-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.14
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide (PubChem CID 79652406) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
PubChem CID79652406
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,7-12)8-13(3)10(14)9-4-5-17(15,16)6-9/h9H,4-8,12H2,1-3H3
InChIKeyMOSSNUVTGUBYKB-UHFFFAOYSA-N
XLogP-0.14
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide (CID 79652406) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide is CN(CC(C)(C)CN)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is MOSSNUVTGUBYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,7-12)8-13(3)10(14)9-4-5-17(15,16)6-9/h9H,4-8,12H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 262.37 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 79652406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).