3-methyl-3-(thian-3-yl)pyrrolidine

C10H19NS — CID 105441904

IUPAC3-methyl-3-(thian-3-yl)pyrrolidine
SMILESCC1(C2CCCSC2)CCNC1
InChIInChI=1S/C10H19NS/c1-10(4-5-11-8-10)9-3-2-6-12-7-9/h9,11H,2-8H2,1H3
InChIKeyVFSSXUQACFRGSN-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.13
Rot. Bonds1

About 3-methyl-3-(thian-3-yl)pyrrolidine

3-methyl-3-(thian-3-yl)pyrrolidine (PubChem CID 105441904) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-methyl-3-(thian-3-yl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-3-(thian-3-yl)pyrrolidine
PubChem CID105441904
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-methyl-3-(thian-3-yl)pyrrolidine
SMILESCC1(C2CCCSC2)CCNC1
InChIInChI=1S/C10H19NS/c1-10(4-5-11-8-10)9-3-2-6-12-7-9/h9,11H,2-8H2,1H3
InChIKeyVFSSXUQACFRGSN-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(thian-3-yl)pyrrolidine?
The IUPAC name of 3-methyl-3-(thian-3-yl)pyrrolidine (CID 105441904) is 3-methyl-3-(thian-3-yl)pyrrolidine.
What is the SMILES notation for 3-methyl-3-(thian-3-yl)pyrrolidine?
The canonical SMILES for 3-methyl-3-(thian-3-yl)pyrrolidine is CC1(C2CCCSC2)CCNC1.
What is the InChIKey of 3-methyl-3-(thian-3-yl)pyrrolidine?
The InChIKey is VFSSXUQACFRGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-10(4-5-11-8-10)9-3-2-6-12-7-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-methyl-3-(thian-3-yl)pyrrolidine?
3-methyl-3-(thian-3-yl)pyrrolidine has a molecular weight of 185.34 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(thian-3-yl)pyrrolidine is sourced from PubChem (CID 105441904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).