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

C8H17NOS — CID 116852617

IUPAC2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol
SMILESCC(CO)SC1CCN(C)C1
InChIInChI=1S/C8H17NOS/c1-7(6-10)11-8-3-4-9(2)5-8/h7-8,10H,3-6H2,1-2H3
InChIKeyUVQBZSPFHSADRM-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.80
Rot. Bonds3

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

2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol (PubChem CID 116852617) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol
PubChem CID116852617
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol
SMILESCC(CO)SC1CCN(C)C1
InChIInChI=1S/C8H17NOS/c1-7(6-10)11-8-3-4-9(2)5-8/h7-8,10H,3-6H2,1-2H3
InChIKeyUVQBZSPFHSADRM-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Pyrrolidin-1-ylethylsulfanyl)ethanol
CID 43393655
1-(2-Hydroxyethylsulfanyl)-3-pyrrolidin-1-ylpropan-2-ol
CID 54465529
3-[2-(Diethylamino)ethylsulfanyl]propan-1-ol
CID 65668803
2-(3-Pyrrolidin-1-ylpropylsulfanyl)ethane-1,1-diol;hydrochloride
CID 70616863
1-Methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 70630941
1-Methylsulfanyl-3-pyrrolidin-1-ylpropan-2-ol
CID 70630942
2-[2-(1-Oxidopyrrolidin-1-ium-1-yl)ethylsulfanyl]ethanol
CID 88718127
1-Methyl-3-methylsulfanylpyrrolidine-2,5-diol
CID 89087535
3-[2-(3-Sulfanylpyrrolidin-1-yl)ethylsulfanyl]propan-1-ol
CID 89196642
1-(3-Ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione
CID 90737425
1-Ethyl-4-methylsulfanylpyrrolidin-2-ol
CID 91281249
1-(3-Methyl-1,3-thiazolidin-2-yl)propan-1-ol
CID 121305438

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol (CID 116852617) is 2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol is CC(CO)SC1CCN(C)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol?
The InChIKey is UVQBZSPFHSADRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(6-10)11-8-3-4-9(2)5-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol?
2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol has a molecular weight of 175.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 116852617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).