(1-ethylpyrrolidin-3-yl)sulfanylmethanol

C7H15NOS — CID 123713213

IUPAC(1-ethylpyrrolidin-3-yl)sulfanylmethanol
SMILESCCN1CCC(SCO)C1
InChIInChI=1S/C7H15NOS/c1-2-8-4-3-7(5-8)10-6-9/h7,9H,2-6H2,1H3
InChIKeyBCBYPEWICOACHL-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.76
Rot. Bonds3

About (1-ethylpyrrolidin-3-yl)sulfanylmethanol

(1-ethylpyrrolidin-3-yl)sulfanylmethanol (PubChem CID 123713213) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (1-ethylpyrrolidin-3-yl)sulfanylmethanol.

Molecular Properties

Compound Name(1-ethylpyrrolidin-3-yl)sulfanylmethanol
PubChem CID123713213
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(1-ethylpyrrolidin-3-yl)sulfanylmethanol
SMILESCCN1CCC(SCO)C1
InChIInChI=1S/C7H15NOS/c1-2-8-4-3-7(5-8)10-6-9/h7,9H,2-6H2,1H3
InChIKeyBCBYPEWICOACHL-UHFFFAOYSA-N
XLogP0.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5-Methyl-1,3-thiazolidin-3-yl)methanol
CID 20691963
(3-Sulfanylpyrrolidin-1-yl)methanol
CID 87836317
1-Ethyl-4-methylsulfanylpyrrolidin-2-ol
CID 91281249
1-(1,3-Thiazolidin-3-yl)propan-1-ol
CID 123722634
(3-Methylsulfanylpyrrolidin-1-yl)methanol
CID 150511123
(1S)-1-[(5S)-5-methyl-1,3-thiazolidin-3-yl]ethanol
CID 163989388
2-(3-Pyrrolidin-1-ylpropylsulfanyl)ethanol
CID 61494391
2-(3-Pyrrolidin-1-ylpropylsulfanyl)propan-1-ol
CID 104086836
2-(1-Methylpyrrolidin-3-yl)sulfanylpropan-1-ol
CID 116852617
2-(1-Methylpyrrolidin-3-yl)sulfanylethanol
CID 116852728
2-(3-Methylsulfanylpyrrolidin-1-yl)ethanol
CID 131031599
3-(Dimethylamino)propylsulfanylmethanol
CID 172258432

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrrolidin-3-yl)sulfanylmethanol?
The IUPAC name of (1-ethylpyrrolidin-3-yl)sulfanylmethanol (CID 123713213) is (1-ethylpyrrolidin-3-yl)sulfanylmethanol.
What is the SMILES notation for (1-ethylpyrrolidin-3-yl)sulfanylmethanol?
The canonical SMILES for (1-ethylpyrrolidin-3-yl)sulfanylmethanol is CCN1CCC(SCO)C1.
What is the InChIKey of (1-ethylpyrrolidin-3-yl)sulfanylmethanol?
The InChIKey is BCBYPEWICOACHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-8-4-3-7(5-8)10-6-9/h7,9H,2-6H2,1H3.
What are the key properties of (1-ethylpyrrolidin-3-yl)sulfanylmethanol?
(1-ethylpyrrolidin-3-yl)sulfanylmethanol has a molecular weight of 161.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrrolidin-3-yl)sulfanylmethanol is sourced from PubChem (CID 123713213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).