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

C8H17NOS — CID 70630942

IUPAC1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol
SMILESCSCC(O)CN1CCCC1
InChIInChI=1S/C8H17NOS/c1-11-7-8(10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3
InChIKeyJAMBRZWLSBOECW-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.81
Rot. Bonds4

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

1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 70630942) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID70630942
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol
SMILESCSCC(O)CN1CCCC1
InChIInChI=1S/C8H17NOS/c1-11-7-8(10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3
InChIKeyJAMBRZWLSBOECW-UHFFFAOYSA-N
XLogP0.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.81
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?
The IUPAC name of 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol (CID 70630942) is 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol is CSCC(O)CN1CCCC1.
What is the InChIKey of 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is JAMBRZWLSBOECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11-7-8(10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol?
1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 175.30 g/mol, XLogP of 0.81, 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 is sourced from PubChem (CID 70630942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).