1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

C14H21Cl2NOS — CID 70617075

IUPAC1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(CSCc1ccccc1Cl)CN1CCCC1
InChIInChI=1S/C14H20ClNOS.ClH/c15-14-6-2-1-5-12(14)10-18-11-13(17)9-16-7-3-4-8-16;/h1-2,5-6,13,17H,3-4,7-11H2;1H
InChIKeyGLUYPIVMNWQOBW-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.45
Rot. Bonds6

About 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 70617075) has the molecular formula C14H21Cl2NOS and a molecular weight of 322.30 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
PubChem CID70617075
Molecular FormulaC14H21Cl2NOS
Molecular Weight322.30 g/mol
Exact Mass321.07
IUPAC Name1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(CSCc1ccccc1Cl)CN1CCCC1
InChIInChI=1S/C14H20ClNOS.ClH/c15-14-6-2-1-5-12(14)10-18-11-13(17)9-16-7-3-4-8-16;/h1-2,5-6,13,17H,3-4,7-11H2;1H
InChIKeyGLUYPIVMNWQOBW-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
CID 103288623
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
2-(pyrrolidin-1-ylmethylsulfanylmethyl)phenol;hydrochloride
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(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729320
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (CID 70617075) is 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is Cl.OC(CSCc1ccccc1Cl)CN1CCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is GLUYPIVMNWQOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS.ClH/c15-14-6-2-1-5-12(14)10-18-11-13(17)9-16-7-3-4-8-16;/h1-2,5-6,13,17H,3-4,7-11H2;1H.
What are the key properties of 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 322.30 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 70617075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).