5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide

C10H17N3O3S — CID 114135299

IUPAC5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CCOCC2)c[nH]1
InChIInChI=1S/C10H17N3O3S/c11-6-9-5-10(7-12-9)17(14,15)13-8-1-3-16-4-2-8/h5,7-8,12-13H,1-4,6,11H2
InChIKeyMCTRQJAODVOPFS-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.07
Rot. Bonds4

About 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 114135299) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide
PubChem CID114135299
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CCOCC2)c[nH]1
InChIInChI=1S/C10H17N3O3S/c11-6-9-5-10(7-12-9)17(14,15)13-8-1-3-16-4-2-8/h5,7-8,12-13H,1-4,6,11H2
InChIKeyMCTRQJAODVOPFS-UHFFFAOYSA-N
XLogP-0.07
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607304
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106073012
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106074079
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106063054
3-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106000983
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
CID 102915798
5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 43610440
5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106056264

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide (CID 114135299) is 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)NC2CCOCC2)c[nH]1.
What is the InChIKey of 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is MCTRQJAODVOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c11-6-9-5-10(7-12-9)17(14,15)13-8-1-3-16-4-2-8/h5,7-8,12-13H,1-4,6,11H2.
What are the key properties of 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114135299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).