N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide

C14H27N3O3S — CID 106017597

IUPACN-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cc(CNCC)n(C)c1
InChIInChI=1S/C14H27N3O3S/c1-4-6-8-20-9-7-16-21(18,19)14-10-13(11-15-5-2)17(3)12-14/h10,12,15-16H,4-9,11H2,1-3H3
InChIKeyVIHNQIVFVHDGSS-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.23
Rot. Bonds11

About N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide

N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106017597) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
PubChem CID106017597
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cc(CNCC)n(C)c1
InChIInChI=1S/C14H27N3O3S/c1-4-6-8-20-9-7-16-21(18,19)14-10-13(11-15-5-2)17(3)12-14/h10,12,15-16H,4-9,11H2,1-3H3
InChIKeyVIHNQIVFVHDGSS-UHFFFAOYSA-N
XLogP1.23
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106017012
5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
CID 106053812
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1-methylpyrrole-3-sulfonamide
CID 106001590
N-(3-methoxy-2-methylpropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106050793
2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106017578
1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
CID 106077651
N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106060823
N-(2,2-dimethylbutyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 103466055
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521
N-(2-ethoxypropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106078809
4-(bromomethyl)-N-(2-butoxyethyl)benzenesulfonamide
CID 65480429

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide (CID 106017597) is N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide is CCCCOCCNS(=O)(=O)c1cc(CNCC)n(C)c1.
What is the InChIKey of N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is VIHNQIVFVHDGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-4-6-8-20-9-7-16-21(18,19)14-10-13(11-15-5-2)17(3)12-14/h10,12,15-16H,4-9,11H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide?
N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.23, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106017597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).