[1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol

C14H29NOS — CID 112629447

IUPAC[1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol
SMILESCCCC(CS)(CCC)CN1CCC(CO)C1
InChIInChI=1S/C14H29NOS/c1-3-6-14(12-17,7-4-2)11-15-8-5-13(9-15)10-16/h13,16-17H,3-12H2,1-2H3
InChIKeyHMXNPDJZMZFGBD-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.82
Rot. Bonds8

About [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol

[1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol (PubChem CID 112629447) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol
PubChem CID112629447
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name[1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol
SMILESCCCC(CS)(CCC)CN1CCC(CO)C1
InChIInChI=1S/C14H29NOS/c1-3-6-14(12-17,7-4-2)11-15-8-5-13(9-15)10-16/h13,16-17H,3-12H2,1-2H3
InChIKeyHMXNPDJZMZFGBD-UHFFFAOYSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol
CID 106839752
[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
CID 112629064
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-2-propylpentane-1-thiol
CID 81195715
2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730
[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 104567928
[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
CID 112629027
[1-[2-propyl-2-(sulfanylmethyl)pentyl]azepan-2-yl]methanol
CID 116640621
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 114800154
[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
CID 62278559
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419

Frequently Asked Questions

What is the IUPAC name of [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol (CID 112629447) is [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol is CCCC(CS)(CCC)CN1CCC(CO)C1.
What is the InChIKey of [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol?
The InChIKey is HMXNPDJZMZFGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-6-14(12-17,7-4-2)11-15-8-5-13(9-15)10-16/h13,16-17H,3-12H2,1-2H3.
What are the key properties of [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol?
[1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol has a molecular weight of 259.46 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).