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

C9H17NO2S — CID 75791838

IUPACN-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine
SMILESC=C(C)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO2S/c1-8(2)6-10(3)9-4-5-13(11,12)7-9/h9H,1,4-7H2,2-3H3
InChIKeyCFCMAGGNUYPDOW-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.68
Rot. Bonds3

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

N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine (PubChem CID 75791838) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine
PubChem CID75791838
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine
SMILESC=C(C)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO2S/c1-8(2)6-10(3)9-4-5-13(11,12)7-9/h9H,1,4-7H2,2-3H3
InChIKeyCFCMAGGNUYPDOW-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine (CID 75791838) is N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine is C=C(C)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine?
The InChIKey is CFCMAGGNUYPDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)6-10(3)9-4-5-13(11,12)7-9/h9H,1,4-7H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine?
N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine has a molecular weight of 203.31 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 75791838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).