2-(methylsulfanylmethyl)pyrrolidine

C6H13NS — CID 4715024

IUPAC2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CCCN1
InChIInChI=1S/C6H13NS/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3
InChIKeyUAFBQROGXTXREC-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.10
Rot. Bonds2

About 2-(methylsulfanylmethyl)pyrrolidine

2-(methylsulfanylmethyl)pyrrolidine (PubChem CID 4715024) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)pyrrolidine
PubChem CID4715024
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CCCN1
InChIInChI=1S/C6H13NS/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3
InChIKeyUAFBQROGXTXREC-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propylthiazolidine
CID 146885
2-Butylthiazolidine
CID 147326
2-Butyl-2-methyl-1,3-thiazolidine
CID 120766
2,2-Ethylmethylthiazolidine
CID 568373
2,2-Diethylthiazolidine
CID 69837
N-methylthiolan-3-amine
CID 16793953
3-(Methylsulfanyl)pyrrolidine
CID 17805728
2,2-Dimethyl-4-(methylsulfanyl)pyrrolidine
CID 145366416
[(2S)-pyrrolidin-2-yl]methanethiol
CID 10374446
2,2,4-Trimethylthiazolidine
CID 19987796
4-Methyl-1,3-thiazolidine
CID 21352170
(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine
CID 11041899

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of 2-(methylsulfanylmethyl)pyrrolidine (CID 4715024) is 2-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 2-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 2-(methylsulfanylmethyl)pyrrolidine is CSCC1CCCN1.
What is the InChIKey of 2-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is UAFBQROGXTXREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)pyrrolidine?
2-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 4715024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).