(2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride

C6H14ClNS — CID 155970823

IUPAC(2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride
SMILESCSC[C@H]1CCCN1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-8-5-6-3-2-4-7-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyBWSTXARRMVRQBZ-FYZOBXCZSA-N
MW167.70 g/mol
LogP1.52
Rot. Bonds2

About (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride

(2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride (PubChem CID 155970823) has the molecular formula C6H14ClNS and a molecular weight of 167.70 g/mol. Its IUPAC name is (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride
PubChem CID155970823
Molecular FormulaC6H14ClNS
Molecular Weight167.70 g/mol
Exact Mass167.05
IUPAC Name(2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride
SMILESCSC[C@H]1CCCN1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-8-5-6-3-2-4-7-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKeyBWSTXARRMVRQBZ-FYZOBXCZSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.70
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride (CID 155970823) is (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride is CSC[C@H]1CCCN1.Cl.
What is the InChIKey of (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride?
The InChIKey is BWSTXARRMVRQBZ-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H13NS.ClH/c1-8-5-6-3-2-4-7-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride?
(2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride has a molecular weight of 167.70 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylsulfanylmethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 155970823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).