3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol

C10H14ClNOS — CID 65146833

IUPAC3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C10H14ClNOS/c1-12-5-4-10(13,7-12)6-8-2-3-9(11)14-8/h2-3,13H,4-7H2,1H3
InChIKeyYTDGGWMLMKGSHM-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.01
Rot. Bonds2

About 3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol

3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol (PubChem CID 65146833) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
PubChem CID65146833
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C10H14ClNOS/c1-12-5-4-10(13,7-12)6-8-2-3-9(11)14-8/h2-3,13H,4-7H2,1H3
InChIKeyYTDGGWMLMKGSHM-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chlorothiophen-2-yl)methyl]-1-ethylazepan-4-ol
CID 65153829
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
CID 65146101
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728690
1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 65147671
[1-[(5-chlorothiophen-2-yl)methyl]cyclopropyl]methanol
CID 66025210
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
4-[(5-chlorothiophen-2-yl)methyl]azepan-4-ol
CID 103982903
4-[(5-chlorothiophen-2-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365921
3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 62977270
1-methyl-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-3-ol
CID 62977084

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol (CID 65146833) is 3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol is CN1CCC(O)(Cc2ccc(Cl)s2)C1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol?
The InChIKey is YTDGGWMLMKGSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-12-5-4-10(13,7-12)6-8-2-3-9(11)14-8/h2-3,13H,4-7H2,1H3.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol?
3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol has a molecular weight of 231.75 g/mol, XLogP of 2.01, 2 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)methyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 65146833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).