(2S)-2-(4-chlorothiophen-3-yl)pyrrolidine

C8H10ClNS — CID 130648179

IUPAC(2S)-2-(4-chlorothiophen-3-yl)pyrrolidine
SMILESClc1cscc1[C@@H]1CCCN1
InChIInChI=1S/C8H10ClNS/c9-7-5-11-4-6(7)8-2-1-3-10-8/h4-5,8,10H,1-3H2/t8-/m0/s1
InChIKeyZZWAQFLEYCNLMY-QMMMGPOBSA-N
MW187.69 g/mol
LogP2.83
Rot. Bonds1

About (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine

(2S)-2-(4-chlorothiophen-3-yl)pyrrolidine (PubChem CID 130648179) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-chlorothiophen-3-yl)pyrrolidine
PubChem CID130648179
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name(2S)-2-(4-chlorothiophen-3-yl)pyrrolidine
SMILESClc1cscc1[C@@H]1CCCN1
InChIInChI=1S/C8H10ClNS/c9-7-5-11-4-6(7)8-2-1-3-10-8/h4-5,8,10H,1-3H2/t8-/m0/s1
InChIKeyZZWAQFLEYCNLMY-QMMMGPOBSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130699846
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 66518698
(2R)-2-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519430
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
CID 66519219
2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole
CID 130721860
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate
CID 114748147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine?
The IUPAC name of (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine (CID 130648179) is (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine is Clc1cscc1[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine?
The InChIKey is ZZWAQFLEYCNLMY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10ClNS/c9-7-5-11-4-6(7)8-2-1-3-10-8/h4-5,8,10H,1-3H2/t8-/m0/s1.
What are the key properties of (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine?
(2S)-2-(4-chlorothiophen-3-yl)pyrrolidine has a molecular weight of 187.69 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorothiophen-3-yl)pyrrolidine is sourced from PubChem (CID 130648179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).