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

C15H29N3O2S — CID 107818779

IUPACN-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(CNC)n(C)c1
InChIInChI=1S/C15H29N3O2S/c1-5-7-8-13(6-2)10-17-21(19,20)15-9-14(11-16-3)18(4)12-15/h9,12-13,16-17H,5-8,10-11H2,1-4H3
InChIKeyWPOCBLOUXXQPTH-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.24
Rot. Bonds10

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

N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 107818779) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
PubChem CID107818779
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(CNC)n(C)c1
InChIInChI=1S/C15H29N3O2S/c1-5-7-8-13(6-2)10-17-21(19,20)15-9-14(11-16-3)18(4)12-15/h9,12-13,16-17H,5-8,10-11H2,1-4H3
InChIKeyWPOCBLOUXXQPTH-UHFFFAOYSA-N
XLogP2.24
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909
N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 107818786
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858663
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106017012
N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 51307194
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 107818708

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (CID 107818779) is N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is CCCCC(CC)CNS(=O)(=O)c1cc(CNC)n(C)c1.
What is the InChIKey of N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is WPOCBLOUXXQPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-5-7-8-13(6-2)10-17-21(19,20)15-9-14(11-16-3)18(4)12-15/h9,12-13,16-17H,5-8,10-11H2,1-4H3.
What are the key properties of N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 107818779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).