5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide

C12H21N3O2S — CID 107402894

IUPAC5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C12H21N3O2S/c1-2-15(9-10-4-3-5-10)18(16,17)12-6-11(7-13)14-8-12/h6,8,10,14H,2-5,7,9,13H2,1H3
InChIKeyBEJLUTQYVHBMGU-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.28
Rot. Bonds6

About 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide (PubChem CID 107402894) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide
PubChem CID107402894
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C12H21N3O2S/c1-2-15(9-10-4-3-5-10)18(16,17)12-6-11(7-13)14-8-12/h6,8,10,14H,2-5,7,9,13H2,1H3
InChIKeyBEJLUTQYVHBMGU-UHFFFAOYSA-N
XLogP1.28
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 107402936
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107398229
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399516
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354
3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 107402923
4-[cyclobutylmethyl(2,2-difluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 146137498
N-(cyclobutylmethyl)-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107402831

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide (CID 107402894) is 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1c[nH]c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide?
The InChIKey is BEJLUTQYVHBMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-15(9-10-4-3-5-10)18(16,17)12-6-11(7-13)14-8-12/h6,8,10,14H,2-5,7,9,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 107402894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).