3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide

C10H19NO2S — CID 117269662

IUPAC3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
SMILESCC1CC(C2CCCS(=O)(=O)C2)CN1
InChIInChI=1S/C10H19NO2S/c1-8-5-10(6-11-8)9-3-2-4-14(12,13)7-9/h8-11H,2-7H2,1H3
InChIKeyIZIHBNXOMVIMKI-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.81
Rot. Bonds1

About 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide

3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide (PubChem CID 117269662) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
PubChem CID117269662
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
SMILESCC1CC(C2CCCS(=O)(=O)C2)CN1
InChIInChI=1S/C10H19NO2S/c1-8-5-10(6-11-8)9-3-2-4-14(12,13)7-9/h8-11H,2-7H2,1H3
InChIKeyIZIHBNXOMVIMKI-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 154934002
2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
CID 117269689
5-(1,1-dioxothian-3-yl)piperidine-2-carboxylic acid
CID 165455343
4-methyl-3-azabicyclo[4.1.0]heptane
CID 21339025
methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 168977897
1-methyl-3-(5-methylpyrrolidin-3-yl)pyrrolidine
CID 117269613
3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
CID 64938017
(3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 142497849
(1,1-dioxothian-3-yl)-methylazanide
CID 155624716
2-(1,1-dioxothian-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 115048531
2-methyl-5-(3-methylcyclohexyl)piperidine
CID 106779690
1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide (CID 117269662) is 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide is CC1CC(C2CCCS(=O)(=O)C2)CN1.
What is the InChIKey of 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide?
The InChIKey is IZIHBNXOMVIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8-5-10(6-11-8)9-3-2-4-14(12,13)7-9/h8-11H,2-7H2,1H3.
What are the key properties of 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide?
3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide has a molecular weight of 217.33 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117269662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).