3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol

C13H19NOS — CID 103728813

IUPAC3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(CCSc2ccccc2)C1
InChIInChI=1S/C13H19NOS/c1-13(15)7-8-14(11-13)9-10-16-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3
InChIKeyQPJZQGIDVNTXOI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.24
Rot. Bonds4

About 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol

3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol (PubChem CID 103728813) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol
PubChem CID103728813
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(CCSc2ccccc2)C1
InChIInChI=1S/C13H19NOS/c1-13(15)7-8-14(11-13)9-10-16-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3
InChIKeyQPJZQGIDVNTXOI-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211
4-methyl-1-(2-phenylsulfanylethyl)piperidine-4-carboxylic acid
CID 79228199
3-methyl-1-(2-phenylsulfanylethyl)piperidine-3-carboxylic acid
CID 79228539
1-[2-(4-fluorophenyl)sulfanylethyl]-4-methylpiperidin-4-ol
CID 80707257
1-(2-phenylsulfanylethyl)-4-propylpiperidine-4-carboxylic acid
CID 79228801
3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol
CID 113250145
4-methyl-1-(4-phenylsulfanylbutyl)piperidine-4-carboxylic acid
CID 175209892
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
3,3-diethyl-1-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223151
1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
CID 112731206
(4S)-1-methyl-2-oxo-8-(2-phenylsulfanylethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97208323
2-methyl-1-(2-phenylsulfanylethyl)piperidine-2-carboxylic acid
CID 104598722

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol (CID 103728813) is 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol is CC1(O)CCN(CCSc2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol?
The InChIKey is QPJZQGIDVNTXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(15)7-8-14(11-13)9-10-16-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3.
What are the key properties of 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol?
3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol has a molecular weight of 237.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 103728813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).