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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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 64905780
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 79645531
N-[(2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 134012637
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 81484591
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 119656331
1-acetyl-N-(3-amino-2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide
CID 119653194
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119655986
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 64913179
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 114760219
1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea
CID 79652798
N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 49343158
(2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119655849

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).