1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

C8H18ClNOS — CID 70630941

IUPAC1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCSCC(O)CN1CCCC1.Cl
InChIInChI=1S/C8H17NOS.ClH/c1-11-7-8(10)6-9-4-2-3-5-9;/h8,10H,2-7H2,1H3;1H
InChIKeyDZLWZWQNCBXKLT-UHFFFAOYSA-N
MW211.76 g/mol
LogP1.23
Rot. Bonds4

About 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 70630941) has the molecular formula C8H18ClNOS and a molecular weight of 211.76 g/mol. Its IUPAC name is 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
PubChem CID70630941
Molecular FormulaC8H18ClNOS
Molecular Weight211.76 g/mol
Exact Mass211.08
IUPAC Name1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCSCC(O)CN1CCCC1.Cl
InChIInChI=1S/C8H17NOS.ClH/c1-11-7-8(10)6-9-4-2-3-5-9;/h8,10H,2-7H2,1H3;1H
InChIKeyDZLWZWQNCBXKLT-UHFFFAOYSA-N
XLogP1.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.76
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (CID 70630941) is 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is CSCC(O)CN1CCCC1.Cl.
What is the InChIKey of 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is DZLWZWQNCBXKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS.ClH/c1-11-7-8(10)6-9-4-2-3-5-9;/h8,10H,2-7H2,1H3;1H.
What are the key properties of 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 211.76 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 70630941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).