N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine

C10H21NO2S — CID 103698424

IUPACN-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine
SMILESCCC(C)(C)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-4-10(2,3)8-11-9-5-6-14(12,13)7-9/h9,11H,4-8H2,1-3H3
InChIKeyLWGZBDYOCRHWEW-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds4

About N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine

N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine (PubChem CID 103698424) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine
PubChem CID103698424
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine
SMILESCCC(C)(C)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-4-10(2,3)8-11-9-5-6-14(12,13)7-9/h9,11H,4-8H2,1-3H3
InChIKeyLWGZBDYOCRHWEW-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethylbutyl)-1,1-dioxothiolan-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

Related Compounds

N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine
CID 103829133
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
N-[2-(1,1-dioxothiolan-3-yl)-2-ethylbutyl]cyclopropanamine
CID 62724450
3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104862624
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
CID 80526202
2-[[(1,1-dioxothian-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 81413030
N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 112688507
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N-(2,2-dimethylbutyl)piperidin-4-amine
CID 103460712
N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine
CID 43511422
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine (CID 103698424) is N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine is CCC(C)(C)CNC1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine?
The InChIKey is LWGZBDYOCRHWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-10(2,3)8-11-9-5-6-14(12,13)7-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine?
N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 103698424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).