2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol

C9H19NOS — CID 116852387

IUPAC2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol
SMILESCN1CCC(SC(C)(C)CO)C1
InChIInChI=1S/C9H19NOS/c1-9(2,7-11)12-8-4-5-10(3)6-8/h8,11H,4-7H2,1-3H3
InChIKeyZVGOACDVJAIJCR-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.19
Rot. Bonds3

About 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol

2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol (PubChem CID 116852387) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol
PubChem CID116852387
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol
SMILESCN1CCC(SC(C)(C)CO)C1
InChIInChI=1S/C9H19NOS/c1-9(2,7-11)12-8-4-5-10(3)6-8/h8,11H,4-7H2,1-3H3
InChIKeyZVGOACDVJAIJCR-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol (CID 116852387) is 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol is CN1CCC(SC(C)(C)CO)C1.
What is the InChIKey of 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol?
The InChIKey is ZVGOACDVJAIJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2,7-11)12-8-4-5-10(3)6-8/h8,11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol?
2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 116852387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).