3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine

C10H21NO3S — CID 60720123

IUPAC3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine
SMILESCC(C)OCCNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-9(2)14-6-5-11-10(3)4-7-15(12,13)8-10/h9,11H,4-8H2,1-3H3
InChIKeyZBDJVPBWFDBHEY-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.58
Rot. Bonds5

About 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine

3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine (PubChem CID 60720123) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine
PubChem CID60720123
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine
SMILESCC(C)OCCNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-9(2)14-6-5-11-10(3)4-7-15(12,13)8-10/h9,11H,4-8H2,1-3H3
InChIKeyZBDJVPBWFDBHEY-UHFFFAOYSA-N
XLogP0.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine?
The IUPAC name of 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine (CID 60720123) is 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine is CC(C)OCCNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine?
The InChIKey is ZBDJVPBWFDBHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)14-6-5-11-10(3)4-7-15(12,13)8-10/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine?
3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine has a molecular weight of 235.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine is sourced from PubChem (CID 60720123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).