3-methyl-1-(thian-4-yl)pyrrolidine

C10H19NS — CID 130874428

IUPAC3-methyl-1-(thian-4-yl)pyrrolidine
SMILESCC1CCN(C2CCSCC2)C1
InChIInChI=1S/C10H19NS/c1-9-2-5-11(8-9)10-3-6-12-7-4-10/h9-10H,2-8H2,1H3
InChIKeyRSUFJMRGHUPZEP-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.22
Rot. Bonds1

About 3-methyl-1-(thian-4-yl)pyrrolidine

3-methyl-1-(thian-4-yl)pyrrolidine (PubChem CID 130874428) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-methyl-1-(thian-4-yl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-(thian-4-yl)pyrrolidine
PubChem CID130874428
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-methyl-1-(thian-4-yl)pyrrolidine
SMILESCC1CCN(C2CCSCC2)C1
InChIInChI=1S/C10H19NS/c1-9-2-5-11(8-9)10-3-6-12-7-4-10/h9-10H,2-8H2,1H3
InChIKeyRSUFJMRGHUPZEP-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thian-4-yl)pyrrolidine?
The IUPAC name of 3-methyl-1-(thian-4-yl)pyrrolidine (CID 130874428) is 3-methyl-1-(thian-4-yl)pyrrolidine.
What is the SMILES notation for 3-methyl-1-(thian-4-yl)pyrrolidine?
The canonical SMILES for 3-methyl-1-(thian-4-yl)pyrrolidine is CC1CCN(C2CCSCC2)C1.
What is the InChIKey of 3-methyl-1-(thian-4-yl)pyrrolidine?
The InChIKey is RSUFJMRGHUPZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9-2-5-11(8-9)10-3-6-12-7-4-10/h9-10H,2-8H2,1H3.
What are the key properties of 3-methyl-1-(thian-4-yl)pyrrolidine?
3-methyl-1-(thian-4-yl)pyrrolidine has a molecular weight of 185.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thian-4-yl)pyrrolidine is sourced from PubChem (CID 130874428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).