4-methylsulfonyl-2-propyl-1H-pyrrole

C8H13NO2S — CID 174627149

IUPAC4-methylsulfonyl-2-propyl-1H-pyrrole
SMILESCCCc1cc(S(C)(=O)=O)c[nH]1
InChIInChI=1S/C8H13NO2S/c1-3-4-7-5-8(6-9-7)12(2,10)11/h5-6,9H,3-4H2,1-2H3
InChIKeyYEJHGPTWCJTZGJ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.37
Rot. Bonds3

About 4-methylsulfonyl-2-propyl-1H-pyrrole

4-methylsulfonyl-2-propyl-1H-pyrrole (PubChem CID 174627149) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-methylsulfonyl-2-propyl-1H-pyrrole.

Molecular Properties

Compound Name4-methylsulfonyl-2-propyl-1H-pyrrole
PubChem CID174627149
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name4-methylsulfonyl-2-propyl-1H-pyrrole
SMILESCCCc1cc(S(C)(=O)=O)c[nH]1
InChIInChI=1S/C8H13NO2S/c1-3-4-7-5-8(6-9-7)12(2,10)11/h5-6,9H,3-4H2,1-2H3
InChIKeyYEJHGPTWCJTZGJ-UHFFFAOYSA-N
XLogP1.37
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-methylsulfonyl-1H-pyrrole
CID 175911506
4-(5-propyl-1H-pyrrol-3-yl)pyridine
CID 91212718
2,5-dipropyl-1H-pyrrole
CID 18668065
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619447
5-methylsulfonyl-2-propyl-1H-indene
CID 150047261
N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106080715
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
2,6-dipropyl-1H-pyridin-4-one
CID 137405391
5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619451

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-2-propyl-1H-pyrrole?
The IUPAC name of 4-methylsulfonyl-2-propyl-1H-pyrrole (CID 174627149) is 4-methylsulfonyl-2-propyl-1H-pyrrole.
What is the SMILES notation for 4-methylsulfonyl-2-propyl-1H-pyrrole?
The canonical SMILES for 4-methylsulfonyl-2-propyl-1H-pyrrole is CCCc1cc(S(C)(=O)=O)c[nH]1.
What is the InChIKey of 4-methylsulfonyl-2-propyl-1H-pyrrole?
The InChIKey is YEJHGPTWCJTZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-3-4-7-5-8(6-9-7)12(2,10)11/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 4-methylsulfonyl-2-propyl-1H-pyrrole?
4-methylsulfonyl-2-propyl-1H-pyrrole has a molecular weight of 187.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-2-propyl-1H-pyrrole is sourced from PubChem (CID 174627149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).