2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol

C12H19NOS — CID 117240368

IUPAC2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1ccc(C(CO)CN2CCCC2)s1
InChIInChI=1S/C12H19NOS/c1-10-4-5-12(15-10)11(9-14)8-13-6-2-3-7-13/h4-5,11,14H,2-3,6-9H2,1H3
InChIKeySJFQQQBOXNBSBC-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.23
Rot. Bonds4

About 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol

2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 117240368) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID117240368
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1ccc(C(CO)CN2CCCC2)s1
InChIInChI=1S/C12H19NOS/c1-10-4-5-12(15-10)11(9-14)8-13-6-2-3-7-13/h4-5,11,14H,2-3,6-9H2,1H3
InChIKeySJFQQQBOXNBSBC-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol (CID 117240368) is 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol is Cc1ccc(C(CO)CN2CCCC2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is SJFQQQBOXNBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-4-5-12(15-10)11(9-14)8-13-6-2-3-7-13/h4-5,11,14H,2-3,6-9H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 117240368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).