3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine

C15H18N2O2S — CID 71685919

IUPAC3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine
SMILESC=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C15H18N2O2S/c1-4-10-17-12(3)11(2)14(15(17)16)20(18,19)13-8-6-5-7-9-13/h4-9H,1,10,16H2,2-3H3
InChIKeyRMRXJUHMCIPVAH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.71
Rot. Bonds4

About 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine

3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine (PubChem CID 71685919) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine
PubChem CID71685919
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine
SMILESC=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C15H18N2O2S/c1-4-10-17-12(3)11(2)14(15(17)16)20(18,19)13-8-6-5-7-9-13/h4-9H,1,10,16H2,2-3H3
InChIKeyRMRXJUHMCIPVAH-UHFFFAOYSA-N
XLogP2.71
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-yl]-3-fluorobenzamide
CID 42570831
1-[2-(4-chlorophenyl)ethyl]-3-(4-chlorophenyl)sulfonyl-4,5-dimethylpyrrol-2-amine
CID 16763553
3-(3-chlorophenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2008908
N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl]acetamide
CID 23847246
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
2-benzyl-4-(4-methylphenyl)sulfonyl-3-phenyl-1-prop-2-enylpyrrole
CID 71818041
ethyl 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 23406565
N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 72581892
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670554
5-tert-butyl-2-phenyl-3-prop-2-enylimidazol-4-amine
CID 62222452
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine (CID 71685919) is 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine is C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1N.
What is the InChIKey of 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine?
The InChIKey is RMRXJUHMCIPVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-10-17-12(3)11(2)14(15(17)16)20(18,19)13-8-6-5-7-9-13/h4-9H,1,10,16H2,2-3H3.
What are the key properties of 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine?
3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine has a molecular weight of 290.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-amine is sourced from PubChem (CID 71685919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).