N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide

C15H29N3O2S — CID 103466111

IUPACN-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)CC)cn1CC
InChIInChI=1S/C15H29N3O2S/c1-6-15(4,5)12-17-21(19,20)14-9-13(10-16-7-2)18(8-3)11-14/h9,11,16-17H,6-8,10,12H2,1-5H3
InChIKeyGFORNLVBBMQMTJ-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.33
Rot. Bonds9

About N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide

N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 103466111) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
PubChem CID103466111
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)CC)cn1CC
InChIInChI=1S/C15H29N3O2S/c1-6-15(4,5)12-17-21(19,20)14-9-13(10-16-7-2)18(8-3)11-14/h9,11,16-17H,6-8,10,12H2,1-5H3
InChIKeyGFORNLVBBMQMTJ-UHFFFAOYSA-N
XLogP2.33
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
N-(2,2-dimethylbutyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 103466055
1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106055982
1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
CID 106077651
1-ethyl-N-(2-methylbutan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106031460
1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide
CID 106075901
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
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
1-ethyl-N-(1-methoxy-2-methylpropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080742
1-ethyl-N-(2-methoxypropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 102701589
N-(2,2-dimethylbutyl)-3-hydroxybenzenesulfonamide
CID 103463059

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide (CID 103466111) is N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC(C)(C)CC)cn1CC.
What is the InChIKey of N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is GFORNLVBBMQMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-6-15(4,5)12-17-21(19,20)14-9-13(10-16-7-2)18(8-3)11-14/h9,11,16-17H,6-8,10,12H2,1-5H3.
What are the key properties of N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide?
N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 103466111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).