N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine

C11H21NO2S — CID 78823897

IUPACN-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine
SMILESC=CCN(CC(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO2S/c1-4-6-12(8-10(2)3)11-5-7-15(13,14)9-11/h4,10-11H,1,5-9H2,2-3H3
InChIKeyCDKYDNINRPOYHZ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.32
Rot. Bonds5

About N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine

N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine (PubChem CID 78823897) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine
PubChem CID78823897
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine
SMILESC=CCN(CC(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO2S/c1-4-6-12(8-10(2)3)11-5-7-15(13,14)9-11/h4,10-11H,1,5-9H2,2-3H3
InChIKeyCDKYDNINRPOYHZ-UHFFFAOYSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.32
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-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine?
The IUPAC name of N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine (CID 78823897) is N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine?
The canonical SMILES for N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine is C=CCN(CC(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine?
The InChIKey is CDKYDNINRPOYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-6-12(8-10(2)3)11-5-7-15(13,14)9-11/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine?
N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine has a molecular weight of 231.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1,1-dioxo-N-prop-2-enylthiolan-3-amine is sourced from PubChem (CID 78823897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).