2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide

C10H19NO2S — CID 117269689

IUPAC2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
SMILESCC1CC(C2CCCCS2(=O)=O)CN1
InChIInChI=1S/C10H19NO2S/c1-8-6-9(7-11-8)10-4-2-3-5-14(10,12)13/h8-11H,2-7H2,1H3
InChIKeyYCENNOCEPBDFSN-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.95
Rot. Bonds1

About 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide

2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide (PubChem CID 117269689) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
PubChem CID117269689
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
SMILESCC1CC(C2CCCCS2(=O)=O)CN1
InChIInChI=1S/C10H19NO2S/c1-8-6-9(7-11-8)10-4-2-3-5-14(10,12)13/h8-11H,2-7H2,1H3
InChIKeyYCENNOCEPBDFSN-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol
CID 117270509
3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
CID 117269662
methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 168977897
(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 154934002
4-methyl-3-azabicyclo[4.1.0]heptane
CID 21339025
2-(azepan-2-yl)thiane 1,1-dioxide
CID 104517922
5-methyl-2λ6-thia-6-azabicyclo[5.5.0]dodecane 2,2-dioxide
CID 66233999
(3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 142497849
2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
CID 117227874
1-methyl-3-(5-methylpyrrolidin-3-yl)pyrrolidine
CID 117269613
5-(1,1-dioxothian-2-yl)-1,3-oxazolidin-2-one
CID 117158781
[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol
CID 117270483

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide (CID 117269689) is 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide is CC1CC(C2CCCCS2(=O)=O)CN1.
What is the InChIKey of 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide?
The InChIKey is YCENNOCEPBDFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8-6-9(7-11-8)10-4-2-3-5-14(10,12)13/h8-11H,2-7H2,1H3.
What are the key properties of 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide?
2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide has a molecular weight of 217.33 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117269689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).