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

C9H19NOS — CID 106246318

IUPAC2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol
SMILESCSCC(C)(O)CN1CCCC1
InChIInChI=1S/C9H19NOS/c1-9(11,8-12-2)7-10-5-3-4-6-10/h11H,3-8H2,1-2H3
InChIKeyVRPARTCDHNPCLJ-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.20
Rot. Bonds4

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

2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 106246318) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID106246318
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol
SMILESCSCC(C)(O)CN1CCCC1
InChIInChI=1S/C9H19NOS/c1-9(11,8-12-2)7-10-5-3-4-6-10/h11H,3-8H2,1-2H3
InChIKeyVRPARTCDHNPCLJ-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol (CID 106246318) is 2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol is CSCC(C)(O)CN1CCCC1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is VRPARTCDHNPCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(11,8-12-2)7-10-5-3-4-6-10/h11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol?
2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 189.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 106246318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).