1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide

C13H23N3O2S — CID 106064325

IUPAC1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC2C)cn1C
InChIInChI=1S/C13H23N3O2S/c1-10-5-4-6-13(10)15-19(17,18)12-7-11(8-14-2)16(3)9-12/h7,9-10,13-15H,4-6,8H2,1-3H3
InChIKeyXDFCANGHTJUKQU-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.21
Rot. Bonds5

About 1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide

1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide (PubChem CID 106064325) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide
PubChem CID106064325
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC2C)cn1C
InChIInChI=1S/C13H23N3O2S/c1-10-5-4-6-13(10)15-19(17,18)12-7-11(8-14-2)16(3)9-12/h7,9-10,13-15H,4-6,8H2,1-3H3
InChIKeyXDFCANGHTJUKQU-UHFFFAOYSA-N
XLogP1.21
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide
CID 106027525
N-(4-ethylcyclohexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053101
1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
CID 106065320
1-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106089956
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064380
N-(3-fluoro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106070494
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1-methylpyrrol-2-yl]-N-methylmethanamine
CID 104961654
N-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067802
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106089797
1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106090538
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrrole-3-sulfonamide
CID 106067674

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide (CID 106064325) is 1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCCC2C)cn1C.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide?
The InChIKey is XDFCANGHTJUKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10-5-4-6-13(10)15-19(17,18)12-7-11(8-14-2)16(3)9-12/h7,9-10,13-15H,4-6,8H2,1-3H3.
What are the key properties of 1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide?
1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.21, 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-(2-methylcyclopentyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106064325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).