N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine

C8H15NO2S — CID 60683409

IUPACN-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine
SMILESC=C(C)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO2S/c1-7(2)5-9-8-3-4-12(10,11)6-8/h8-9H,1,3-6H2,2H3
InChIKeyLZNHJTLKYPWLCR-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.34
Rot. Bonds3

About N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine

N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine (PubChem CID 60683409) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine
PubChem CID60683409
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine
SMILESC=C(C)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO2S/c1-7(2)5-9-8-3-4-12(10,11)6-8/h8-9H,1,3-6H2,2H3
InChIKeyLZNHJTLKYPWLCR-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(Allylamino)tetrahydrothiophene 1,1-dioxide
CID 315892
3-((Prop-2-en-1-yl)amino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 45074742
N-allyl-3-methyltetrahydro-3-thiophenamine 1,1-dioxide hydrochloride
CID 2830166
3-methyl-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 2830167
(1,1-Dioxothiolan-3-yl)-prop-2-enylazanium;chloride
CID 21206242
2-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine
CID 62331338
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-prop-2-enylazanium
CID 2306735
(3R)-3-methyl-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 2306736
N-(prop-2-en-1-yl)tetrahydrothiophen-3-aminium 1,1-dioxide
CID 3834709
3-methyl-N-(prop-2-en-1-yl)tetrahydrothiophen-3-aminium 1,1-dioxide
CID 3864063
1,1-Dioxo-N-(prop-2-en-1-yl)-1lambda~6~-thiolan-3-aminium
CID 7032717
(3R)-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 7032718

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine (CID 60683409) is N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine is C=C(C)CNC1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine?
The InChIKey is LZNHJTLKYPWLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(2)5-9-8-3-4-12(10,11)6-8/h8-9H,1,3-6H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine?
N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine has a molecular weight of 189.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 60683409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).