N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine

C9H17NO2S — CID 62331329

IUPACN-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine
SMILESC=C(C)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17NO2S/c1-8(2)7-10-9-3-5-13(11,12)6-4-9/h9-10H,1,3-7H2,2H3
InChIKeyYOPUFJZLNLBANR-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.73
Rot. Bonds3

About N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine

N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine (PubChem CID 62331329) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine
PubChem CID62331329
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine
SMILESC=C(C)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17NO2S/c1-8(2)7-10-9-3-5-13(11,12)6-4-9/h9-10H,1,3-7H2,2H3
InChIKeyYOPUFJZLNLBANR-UHFFFAOYSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
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-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine (CID 62331329) is N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine is C=C(C)CNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine?
The InChIKey is YOPUFJZLNLBANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)7-10-9-3-5-13(11,12)6-4-9/h9-10H,1,3-7H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine?
N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine has a molecular weight of 203.31 g/mol, XLogP of 0.73, 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-dioxothian-4-amine is sourced from PubChem (CID 62331329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).