1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide

C14H25N3O2S2 — CID 106090538

IUPAC1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2(SC)CCCC2)cn1C
InChIInChI=1S/C14H25N3O2S2/c1-15-9-12-8-13(10-17(12)2)21(18,19)16-11-14(20-3)6-4-5-7-14/h8,10,15-16H,4-7,9,11H2,1-3H3
InChIKeyIELUGWLCEFENIJ-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.70
Rot. Bonds7

About 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide

1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide (PubChem CID 106090538) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
PubChem CID106090538
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2(SC)CCCC2)cn1C
InChIInChI=1S/C14H25N3O2S2/c1-15-9-12-8-13(10-17(12)2)21(18,19)16-11-14(20-3)6-4-5-7-14/h8,10,15-16H,4-7,9,11H2,1-3H3
InChIKeyIELUGWLCEFENIJ-UHFFFAOYSA-N
XLogP1.70
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106000807
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090614
N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080492
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114142660
1-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
CID 106218768
5-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-propan-2-ylpyrrole-3-sulfonamide
CID 106093306
N-(3-fluorophenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106060661
2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090607
1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001861
4-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090703
4-fluoro-3-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093342

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide (CID 106090538) is 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC2(SC)CCCC2)cn1C.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide?
The InChIKey is IELUGWLCEFENIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-15-9-12-8-13(10-17(12)2)21(18,19)16-11-14(20-3)6-4-5-7-14/h8,10,15-16H,4-7,9,11H2,1-3H3.
What are the key properties of 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide?
1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106090538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).