2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide

C12H21BrN2O4S — CID 103192203

IUPAC2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H21BrN2O4S/c1-5-15(9(2)7-14(3)4)20(17,18)11-6-10(8-16)19-12(11)13/h6,9,16H,5,7-8H2,1-4H3
InChIKeyCCUWQKGAFFPIRQ-UHFFFAOYSA-N
MW369.28 g/mol
LogP1.50
Rot. Bonds7

About 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide

2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide (PubChem CID 103192203) has the molecular formula C12H21BrN2O4S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
PubChem CID103192203
Molecular FormulaC12H21BrN2O4S
Molecular Weight369.28 g/mol
Exact Mass368.04
IUPAC Name2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H21BrN2O4S/c1-5-15(9(2)7-14(3)4)20(17,18)11-6-10(8-16)19-12(11)13/h6,9,16H,5,7-8H2,1-4H3
InChIKeyCCUWQKGAFFPIRQ-UHFFFAOYSA-N
XLogP1.50
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 103192351
2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide
CID 79470111
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103192204
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide
CID 79864357
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 106546875
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103191041
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzenesulfonamide
CID 103270437

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide (CID 103192203) is 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide?
The InChIKey is CCUWQKGAFFPIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O4S/c1-5-15(9(2)7-14(3)4)20(17,18)11-6-10(8-16)19-12(11)13/h6,9,16H,5,7-8H2,1-4H3.
What are the key properties of 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide?
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide has a molecular weight of 369.28 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide is sourced from PubChem (CID 103192203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).