1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole

C15H17NO2S — CID 67129203

IUPAC1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole
SMILESCn1ccc(S(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C15H17NO2S/c1-16-9-8-15(11-16)19(17,18)14-7-6-12-4-2-3-5-13(12)10-14/h6-11H,2-5H2,1H3
InChIKeyLPDGOMJLOZYVFJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.74
Rot. Bonds2

About 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole

1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole (PubChem CID 67129203) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole.

Molecular Properties

Compound Name1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole
PubChem CID67129203
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole
SMILESCn1ccc(S(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C15H17NO2S/c1-16-9-8-15(11-16)19(17,18)14-7-6-12-4-2-3-5-13(12)10-14/h6-11H,2-5H2,1H3
InChIKeyLPDGOMJLOZYVFJ-UHFFFAOYSA-N
XLogP2.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole 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

6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
CID 57430782
5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501
6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 117031949
methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole
CID 143248303
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 158665045
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol
CID 116855244
1-(3-methylbutyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113075040
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43411823
1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide
CID 18092883
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
1-methyl-3-propan-2-ylsulfonylpyrrole
CID 130377708

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole?
The IUPAC name of 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole (CID 67129203) is 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole.
What is the SMILES notation for 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole?
The canonical SMILES for 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole is Cn1ccc(S(=O)(=O)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole?
The InChIKey is LPDGOMJLOZYVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-16-9-8-15(11-16)19(17,18)14-7-6-12-4-2-3-5-13(12)10-14/h6-11H,2-5H2,1H3.
What are the key properties of 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole?
1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole has a molecular weight of 275.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole is sourced from PubChem (CID 67129203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).