1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide

C14H27N3O3S — CID 106077651

IUPAC1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCOC(C)C)cn1CC
InChIInChI=1S/C14H27N3O3S/c1-5-15-10-13-9-14(11-17(13)6-2)21(18,19)16-7-8-20-12(3)4/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyZRMSNJPZJKEQBK-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.32
Rot. Bonds10

About 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide

1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide (PubChem CID 106077651) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
PubChem CID106077651
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCOC(C)C)cn1CC
InChIInChI=1S/C14H27N3O3S/c1-5-15-10-13-9-14(11-17(13)6-2)21(18,19)16-7-8-20-12(3)4/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyZRMSNJPZJKEQBK-UHFFFAOYSA-N
XLogP1.32
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.32
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

5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1-propylpyrrole-3-sulfonamide
CID 106077560
1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106055982
1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 106065897
N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 103466111
1-ethyl-N-(2-methoxypropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 102701589
1-ethyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106059232
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106017597
1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide
CID 106075901
1-ethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106079700

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide (CID 106077651) is 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCOC(C)C)cn1CC.
What is the InChIKey of 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide?
The InChIKey is ZRMSNJPZJKEQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-5-15-10-13-9-14(11-17(13)6-2)21(18,19)16-7-8-20-12(3)4/h9,11-12,15-16H,5-8,10H2,1-4H3.
What are the key properties of 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide?
1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106077651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).