2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride

C9H14ClNS — CID 54593492

IUPAC2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride
SMILESCc1ccc(C2CCCN2)s1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7-4-5-9(11-7)8-3-2-6-10-8;/h4-5,8,10H,2-3,6H2,1H3;1H
InChIKeyMOGHVXZOBPPSOP-UHFFFAOYSA-N
MW203.74 g/mol
LogP2.90
Rot. Bonds1

About 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride

2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride (PubChem CID 54593492) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride
PubChem CID54593492
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride
SMILESCc1ccc(C2CCCN2)s1.Cl
InChIInChI=1S/C9H13NS.ClH/c1-7-4-5-9(11-7)8-3-2-6-10-8;/h4-5,8,10H,2-3,6H2,1H3;1H
InChIKeyMOGHVXZOBPPSOP-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 252453
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CID 2560646
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CID 4716479
CID 4716479
CID 339554
CID 339554
CID 24212013
CID 24212013
CID 76324403
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CID 17295952
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CID 3733262
CID 3733262
CID 458574
CID 458574
CID 458575
CID 458575

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride (CID 54593492) is 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride is Cc1ccc(C2CCCN2)s1.Cl.
What is the InChIKey of 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride?
The InChIKey is MOGHVXZOBPPSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-7-4-5-9(11-7)8-3-2-6-10-8;/h4-5,8,10H,2-3,6H2,1H3;1H.
What are the key properties of 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride?
2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 54593492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).