1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide

C14H25N3O2S — CID 106027525

IUPAC1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC(C)C2)cn1C
InChIInChI=1S/C14H25N3O2S/c1-11-5-4-6-12(7-11)16-20(18,19)14-8-13(9-15-2)17(3)10-14/h8,10-12,15-16H,4-7,9H2,1-3H3
InChIKeyCUBILCBUTDQHJG-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.60
Rot. Bonds5

About 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide

1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide (PubChem CID 106027525) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide
PubChem CID106027525
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC(C)C2)cn1C
InChIInChI=1S/C14H25N3O2S/c1-11-5-4-6-12(7-11)16-20(18,19)14-8-13(9-15-2)17(3)10-14/h8,10-12,15-16H,4-7,9H2,1-3H3
InChIKeyCUBILCBUTDQHJG-UHFFFAOYSA-N
XLogP1.60
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide
CID 106064325
1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
CID 106065320
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
N-(4-ethylcyclohexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053101
1-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106089956
5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide
CID 106001030
5-(ethylaminomethyl)-1-methyl-N-(1-methylpiperidin-3-yl)pyrrole-3-sulfonamide
CID 106017836
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide
CID 114551930
3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958166
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
4-(2-chloroethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 43662590

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide (CID 106027525) is 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCCC(C)C2)cn1C.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide?
The InChIKey is CUBILCBUTDQHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11-5-4-6-12(7-11)16-20(18,19)14-8-13(9-15-2)17(3)10-14/h8,10-12,15-16H,4-7,9H2,1-3H3.
What are the key properties of 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide?
1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106027525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).