3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine

C10H21NO2S — CID 43679704

IUPAC3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine
SMILESCCC(C)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-4-9(2)7-11-10(3)5-6-14(12,13)8-10/h9,11H,4-8H2,1-3H3
InChIKeyVHORKJKJXLOMHP-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds4

About 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine

3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine (PubChem CID 43679704) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine
PubChem CID43679704
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine
SMILESCCC(C)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-4-9(2)7-11-10(3)5-6-14(12,13)8-10/h9,11H,4-8H2,1-3H3
InChIKeyVHORKJKJXLOMHP-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 3-methyl-N-(2-methylbutyl)-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

2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide
CID 103245063
2-ethyl-N'-(3-methyl-1,1-dioxothiolan-3-yl)butane-1,4-diamine
CID 81079908
3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine
CID 60720123
3-methyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 107424428
2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7059103
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide
CID 60720147
3-chloro-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 62727568
4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]butanenitrile
CID 60720124
N-[(E)-but-2-enyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 103608632
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-(2-methylpropyl)urea
CID 3436222
3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]propanoic acid
CID 129366944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine (CID 43679704) is 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine is CCC(C)CNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine?
The InChIKey is VHORKJKJXLOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-9(2)7-11-10(3)5-6-14(12,13)8-10/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine?
3-methyl-N-(2-methylbutyl)-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 3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).