(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol

C11H23NOS — CID 56666096

IUPAC(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol
SMILESCCCCCCSC[C@@H]1CCC(O)N1
InChIInChI=1S/C11H23NOS/c1-2-3-4-5-8-14-9-10-6-7-11(13)12-10/h10-13H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyHMXOJIGJGBZOPQ-VUWPPUDQSA-N
MW217.38 g/mol
LogP2.37
Rot. Bonds7

About (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol

(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol (PubChem CID 56666096) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol
PubChem CID56666096
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol
SMILESCCCCCCSC[C@@H]1CCC(O)N1
InChIInChI=1S/C11H23NOS/c1-2-3-4-5-8-14-9-10-6-7-11(13)12-10/h10-13H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyHMXOJIGJGBZOPQ-VUWPPUDQSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol?
The IUPAC name of (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol (CID 56666096) is (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol.
What is the SMILES notation for (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol?
The canonical SMILES for (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol is CCCCCCSC[C@@H]1CCC(O)N1.
What is the InChIKey of (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol?
The InChIKey is HMXOJIGJGBZOPQ-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-3-4-5-8-14-9-10-6-7-11(13)12-10/h10-13H,2-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol?
(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol has a molecular weight of 217.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-ol is sourced from PubChem (CID 56666096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).