1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol

C10H14ClNOS — CID 164650141

IUPAC1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol
SMILESOC(CC1CCNC1)c1sccc1Cl
InChIInChI=1S/C10H14ClNOS/c11-8-2-4-14-10(8)9(13)5-7-1-3-12-6-7/h2,4,7,9,12-13H,1,3,5-6H2
InChIKeyYWVOYTILEUQQFM-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.43
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol

1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol (PubChem CID 164650141) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol
PubChem CID164650141
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol
SMILESOC(CC1CCNC1)c1sccc1Cl
InChIInChI=1S/C10H14ClNOS/c11-8-2-4-14-10(8)9(13)5-7-1-3-12-6-7/h2,4,7,9,12-13H,1,3,5-6H2
InChIKeyYWVOYTILEUQQFM-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789625
3-(3-chlorothiophen-2-yl)pyrrolidine
CID 82655748
1-[(1S)-1-(3-chlorothiophen-2-yl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276249
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
CID 83148451
3-[(3-chlorothiophen-2-yl)methyl]piperidine
CID 130534670
2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine
CID 116936073
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
1-[(R)-(3-chlorothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 171288857
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol (CID 164650141) is 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol is OC(CC1CCNC1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol?
The InChIKey is YWVOYTILEUQQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-8-2-4-14-10(8)9(13)5-7-1-3-12-6-7/h2,4,7,9,12-13H,1,3,5-6H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol?
1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol has a molecular weight of 231.75 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-pyrrolidin-3-ylethanol is sourced from PubChem (CID 164650141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).