3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine

C9H12ClNS2 — CID 117033083

IUPAC3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine
SMILESClc1ccc(SCC2CCNC2)s1
InChIInChI=1S/C9H12ClNS2/c10-8-1-2-9(13-8)12-6-7-3-4-11-5-7/h1-2,7,11H,3-6H2
InChIKeyACROMOXQBZPEDY-UHFFFAOYSA-N
MW233.79 g/mol
LogP3.10
Rot. Bonds3

About 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine

3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine (PubChem CID 117033083) has the molecular formula C9H12ClNS2 and a molecular weight of 233.79 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine
PubChem CID117033083
Molecular FormulaC9H12ClNS2
Molecular Weight233.79 g/mol
Exact Mass233.01
IUPAC Name3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine
SMILESClc1ccc(SCC2CCNC2)s1
InChIInChI=1S/C9H12ClNS2/c10-8-1-2-9(13-8)12-6-7-3-4-11-5-7/h1-2,7,11H,3-6H2
InChIKeyACROMOXQBZPEDY-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.79
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine
CID 117034439
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661
2-chloro-4-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163842
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583465
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
CID 71303201
N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine
CID 117032952
(3R)-3-(methylsulfanylmethyl)pyrrolidine
CID 90143250
2-chloro-5-(pyrrolidin-3-ylmethylsulfanylmethyl)-1,3-thiazole
CID 71640483
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
CID 96879943
4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine
CID 83487153

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine (CID 117033083) is 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine is Clc1ccc(SCC2CCNC2)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine?
The InChIKey is ACROMOXQBZPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS2/c10-8-1-2-9(13-8)12-6-7-3-4-11-5-7/h1-2,7,11H,3-6H2.
What are the key properties of 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine?
3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine has a molecular weight of 233.79 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine is sourced from PubChem (CID 117033083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).