1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide

C12H21N3O3S — CID 106065320

IUPAC1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCOC2)cn1C
InChIInChI=1S/C12H21N3O3S/c1-13-7-11-6-12(8-15(11)2)19(16,17)14-10-4-3-5-18-9-10/h6,8,10,13-14H,3-5,7,9H2,1-2H3
InChIKeyTWDNGLVXRKFCQW-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.20
Rot. Bonds5

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

1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide (PubChem CID 106065320) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
PubChem CID106065320
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCOC2)cn1C
InChIInChI=1S/C12H21N3O3S/c1-13-7-11-6-12(8-15(11)2)19(16,17)14-10-4-3-5-18-9-10/h6,8,10,13-14H,3-5,7,9H2,1-2H3
InChIKeyTWDNGLVXRKFCQW-UHFFFAOYSA-N
XLogP0.20
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide
CID 106027525
5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072305
N-(4-ethylcyclohexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053101
5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide
CID 106072487
1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide
CID 106064325
3-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
N-(1,4-dioxan-2-ylmethyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106016710
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065308
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072562
5-(ethylaminomethyl)-1-methyl-N-(1-methylpiperidin-3-yl)pyrrole-3-sulfonamide
CID 106017836
N-(oxan-3-yl)benzenesulfonamide
CID 63613851

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide (CID 106065320) is 1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCCOC2)cn1C.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide?
The InChIKey is TWDNGLVXRKFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-13-7-11-6-12(8-15(11)2)19(16,17)14-10-4-3-5-18-9-10/h6,8,10,13-14H,3-5,7,9H2,1-2H3.
What are the key properties of 1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide?
1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.20, 5 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-(oxan-3-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106065320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).