2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol

C12H17NOS — CID 115071010

IUPAC2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
SMILESOc1ccccc1CSCC1CCCN1
InChIInChI=1S/C12H17NOS/c14-12-6-2-1-4-10(12)8-15-9-11-5-3-7-13-11/h1-2,4,6,11,13-14H,3,5,7-9H2
InChIKeyLMODWFFLIPCSNG-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.38
Rot. Bonds4

About 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol

2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol (PubChem CID 115071010) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
PubChem CID115071010
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
SMILESOc1ccccc1CSCC1CCCN1
InChIInChI=1S/C12H17NOS/c14-12-6-2-1-4-10(12)8-15-9-11-5-3-7-13-11/h1-2,4,6,11,13-14H,3,5,7-9H2
InChIKeyLMODWFFLIPCSNG-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769476
(2S)-2-[(2-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 103289465
2-[(2-bromophenyl)methylsulfanylmethyl]piperidine
CID 115071035
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
2-[(4-bromophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071015
(2S)-2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 102820351
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62766072
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106599402
2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine
CID 115070968
2-(benzylsulfanylmethyl)azetidine
CID 115070954

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol?
The IUPAC name of 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol (CID 115071010) is 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol?
The canonical SMILES for 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol is Oc1ccccc1CSCC1CCCN1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol?
The InChIKey is LMODWFFLIPCSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-12-6-2-1-4-10(12)8-15-9-11-5-3-7-13-11/h1-2,4,6,11,13-14H,3,5,7-9H2.
What are the key properties of 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol?
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol has a molecular weight of 223.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol is sourced from PubChem (CID 115071010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).