[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol

C10H21NOS — CID 64866896

IUPAC[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol
SMILESCSCC(C)CN1CCC(CO)C1
InChIInChI=1S/C10H21NOS/c1-9(8-13-2)5-11-4-3-10(6-11)7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyBLUDQQPZLLNLFC-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.30
Rot. Bonds5

About [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol

[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol (PubChem CID 64866896) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol
PubChem CID64866896
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol
SMILESCSCC(C)CN1CCC(CO)C1
InChIInChI=1S/C10H21NOS/c1-9(8-13-2)5-11-4-3-10(6-11)7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyBLUDQQPZLLNLFC-UHFFFAOYSA-N
XLogP1.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol (CID 64866896) is [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol is CSCC(C)CN1CCC(CO)C1.
What is the InChIKey of [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol?
The InChIKey is BLUDQQPZLLNLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(8-13-2)5-11-4-3-10(6-11)7-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol?
[1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol has a molecular weight of 203.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64866896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).