(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol

C9H12ClNOS — CID 130713187

IUPAC(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol
SMILESOC(c1ccsc1Cl)C1CCCN1
InChIInChI=1S/C9H12ClNOS/c10-9-6(3-5-13-9)8(12)7-2-1-4-11-7/h3,5,7-8,11-12H,1-2,4H2
InChIKeyAMVXKAWMKIEWLS-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.19
Rot. Bonds2

About (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol

(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol (PubChem CID 130713187) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol
PubChem CID130713187
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol
SMILESOC(c1ccsc1Cl)C1CCCN1
InChIInChI=1S/C9H12ClNOS/c10-9-6(3-5-13-9)8(12)7-2-1-4-11-7/h3,5,7-8,11-12H,1-2,4H2
InChIKeyAMVXKAWMKIEWLS-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
CID 142544047
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
CID 103303135
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
azepan-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 66157676
(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol
CID 64866398
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol
CID 107476748
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
(2-amino-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639861
1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol
CID 164654104
(2-amino-3-pyridinyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654106

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol (CID 130713187) is (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol is OC(c1ccsc1Cl)C1CCCN1.
What is the InChIKey of (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is AMVXKAWMKIEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-9-6(3-5-13-9)8(12)7-2-1-4-11-7/h3,5,7-8,11-12H,1-2,4H2.
What are the key properties of (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol?
(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 217.72 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 130713187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).