5-(benzenesulfinylmethyl)-3H-pyrrole

C11H11NOS — CID 58034217

IUPAC5-(benzenesulfinylmethyl)-3H-pyrrole
SMILESO=S(CC1=CCC=N1)c1ccccc1
InChIInChI=1S/C11H11NOS/c13-14(9-10-5-4-8-12-10)11-6-2-1-3-7-11/h1-3,5-8H,4,9H2
InChIKeyCTQIRCUFJOOQMV-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.15
Rot. Bonds3

About 5-(benzenesulfinylmethyl)-3H-pyrrole

5-(benzenesulfinylmethyl)-3H-pyrrole (PubChem CID 58034217) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-(benzenesulfinylmethyl)-3H-pyrrole.

Molecular Properties

Compound Name5-(benzenesulfinylmethyl)-3H-pyrrole
PubChem CID58034217
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name5-(benzenesulfinylmethyl)-3H-pyrrole
SMILESO=S(CC1=CCC=N1)c1ccccc1
InChIInChI=1S/C11H11NOS/c13-14(9-10-5-4-8-12-10)11-6-2-1-3-7-11/h1-3,5-8H,4,9H2
InChIKeyCTQIRCUFJOOQMV-UHFFFAOYSA-N
XLogP2.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine
CID 145145065
5-[1-(benzenesulfonyl)ethyl]-3,4-dihydro-2H-pyrrole
CID 10561864
2-phenylsulfanyl-2H-pyrrole
CID 19800205
2-(Benzenesulfinyl)-3,4-dihydropyridine
CID 57054662
(NE)-N-[2-(benzenesulfinyl)ethylidene]hydroxylamine
CID 88683589
5-(Benzenesulfonyl)-4,5-dihydro-1,2-thiazole
CID 141835122
N-tert-butyl-3-phenylsulfanylpropan-1-imine
CID 143037132
(E)-3-phenylsulfanyl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 143728216
N-[2-(benzenesulfinyl)ethylidene]hydroxylamine
CID 154204794
(Z)-1-(benzenesulfonyl)-4-iminobut-2-en-2-amine
CID 164828812
1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine
CID 15494569
5-(benzenesulfonylmethyl)-3,4-dihydro-2H-pyrrole
CID 15518934

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfinylmethyl)-3H-pyrrole?
The IUPAC name of 5-(benzenesulfinylmethyl)-3H-pyrrole (CID 58034217) is 5-(benzenesulfinylmethyl)-3H-pyrrole.
What is the SMILES notation for 5-(benzenesulfinylmethyl)-3H-pyrrole?
The canonical SMILES for 5-(benzenesulfinylmethyl)-3H-pyrrole is O=S(CC1=CCC=N1)c1ccccc1.
What is the InChIKey of 5-(benzenesulfinylmethyl)-3H-pyrrole?
The InChIKey is CTQIRCUFJOOQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-14(9-10-5-4-8-12-10)11-6-2-1-3-7-11/h1-3,5-8H,4,9H2.
What are the key properties of 5-(benzenesulfinylmethyl)-3H-pyrrole?
5-(benzenesulfinylmethyl)-3H-pyrrole has a molecular weight of 205.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfinylmethyl)-3H-pyrrole is sourced from PubChem (CID 58034217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).