[5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine

C11H17BrN2O3S — CID 79187624

IUPAC[5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine
SMILESCC1CN(S(=O)(=O)c2cc(CN)oc2Br)CC1C
InChIInChI=1S/C11H17BrN2O3S/c1-7-5-14(6-8(7)2)18(15,16)10-3-9(4-13)17-11(10)12/h3,7-8H,4-6,13H2,1-2H3
InChIKeyQBUIFWHLMRMDAX-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.78
Rot. Bonds3

About [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine

[5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine (PubChem CID 79187624) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine
PubChem CID79187624
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name[5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine
SMILESCC1CN(S(=O)(=O)c2cc(CN)oc2Br)CC1C
InChIInChI=1S/C11H17BrN2O3S/c1-7-5-14(6-8(7)2)18(15,16)10-3-9(4-13)17-11(10)12/h3,7-8H,4-6,13H2,1-2H3
InChIKeyQBUIFWHLMRMDAX-UHFFFAOYSA-N
XLogP1.78
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol
CID 66371324
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
CID 106002889
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methylfuran-2-yl]methyl]ethanamine
CID 79187132
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
CID 106091146
5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106090773
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine
CID 114597738
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840
5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 62804157
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine?
The IUPAC name of [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine (CID 79187624) is [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine.
What is the SMILES notation for [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine?
The canonical SMILES for [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine is CC1CN(S(=O)(=O)c2cc(CN)oc2Br)CC1C.
What is the InChIKey of [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine?
The InChIKey is QBUIFWHLMRMDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-7-5-14(6-8(7)2)18(15,16)10-3-9(4-13)17-11(10)12/h3,7-8H,4-6,13H2,1-2H3.
What are the key properties of [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine?
[5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine has a molecular weight of 337.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylfuran-2-yl]methanamine is sourced from PubChem (CID 79187624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).