N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide

C11H21N3O2S — CID 79668101

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H21N3O2S/c1-4-14(9-11(2,3)8-12)17(15,16)10-5-6-13-7-10/h5-7,13H,4,8-9,12H2,1-3H3
InChIKeyYRGMKAMOQAFBLK-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.01
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide (PubChem CID 79668101) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide
PubChem CID79668101
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H21N3O2S/c1-4-14(9-11(2,3)8-12)17(15,16)10-5-6-13-7-10/h5-7,13H,4,8-9,12H2,1-3H3
InChIKeyYRGMKAMOQAFBLK-UHFFFAOYSA-N
XLogP1.01
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 79667940
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 79667869
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81260224
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 79667611
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 79667609
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332
4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzenecarbothioamide
CID 79376789
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
CID 79664134
2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol
CID 116855267
2-[(2-amino-2-oxoethyl)-(1H-pyrrol-3-ylsulfonyl)amino]acetic acid
CID 107435842
3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane
CID 142012161

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide (CID 79668101) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide is CCN(CC(C)(C)CN)S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide?
The InChIKey is YRGMKAMOQAFBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-14(9-11(2,3)8-12)17(15,16)10-5-6-13-7-10/h5-7,13H,4,8-9,12H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 79668101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).