5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide

C9H17N3O4S2 — CID 79863901

IUPAC5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C9H17N3O4S2/c1-12(3-4-17(2,13)14)18(15,16)9-5-8(6-10)11-7-9/h5,7,11H,3-4,6,10H2,1-2H3
InChIKeyOVDPDELHGKXQGC-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.86
Rot. Bonds6

About 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 79863901) has the molecular formula C9H17N3O4S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide
PubChem CID79863901
Molecular FormulaC9H17N3O4S2
Molecular Weight295.39 g/mol
Exact Mass295.07
IUPAC Name5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C9H17N3O4S2/c1-12(3-4-17(2,13)14)18(15,16)9-5-8(6-10)11-7-9/h5,7,11H,3-4,6,10H2,1-2H3
InChIKeyOVDPDELHGKXQGC-UHFFFAOYSA-N
XLogP-0.86
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide
CID 79865256
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 79864717
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide
CID 107402894
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 79489710
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrole-3-sulfonamide
CID 112667294
3-amino-N,2,6-trimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849889

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide (CID 79863901) is 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1c[nH]c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is OVDPDELHGKXQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S2/c1-12(3-4-17(2,13)14)18(15,16)9-5-8(6-10)11-7-9/h5,7,11H,3-4,6,10H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 295.39 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 79863901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).