N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

C10H19NO2S — CID 60693769

IUPACN-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCC(C)(C)CCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)5-6-11-9-4-7-14(12,13)8-9/h4,7,9,11H,5-6,8H2,1-3H3
InChIKeySJRGXHOGXUEEHY-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.32
Rot. Bonds3

About N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 60693769) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID60693769
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCC(C)(C)CCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-10(2,3)5-6-11-9-4-7-14(12,13)8-9/h4,7,9,11H,5-6,8H2,1-3H3
InChIKeySJRGXHOGXUEEHY-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 60693769) is N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is CC(C)(C)CCNC1C=CS(=O)(=O)C1.
What is the InChIKey of N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is SJRGXHOGXUEEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,3)5-6-11-9-4-7-14(12,13)8-9/h4,7,9,11H,5-6,8H2,1-3H3.
What are the key properties of N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 217.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 60693769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).