5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide

C12H22BrN3O3S — CID 106052222

IUPAC5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C12H22BrN3O3S/c1-4-16(5-2)8-9(3)15-20(17,18)11-6-10(7-14)19-12(11)13/h6,9,15H,4-5,7-8,14H2,1-3H3
InChIKeyIDBYMEBYVUQBKX-UHFFFAOYSA-N
MW368.30 g/mol
LogP1.51
Rot. Bonds8

About 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide (PubChem CID 106052222) has the molecular formula C12H22BrN3O3S and a molecular weight of 368.30 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
PubChem CID106052222
Molecular FormulaC12H22BrN3O3S
Molecular Weight368.30 g/mol
Exact Mass367.06
IUPAC Name5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
SMILESCCN(CC)CC(C)NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C12H22BrN3O3S/c1-4-16(5-2)8-9(3)15-20(17,18)11-6-10(7-14)19-12(11)13/h6,9,15H,4-5,7-8,14H2,1-3H3
InChIKeyIDBYMEBYVUQBKX-UHFFFAOYSA-N
XLogP1.51
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270
5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
CID 106055076
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
CID 106066783
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
CID 106005665
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427
5-(aminomethyl)-2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-3-sulfonamide
CID 106089758
5-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]pyridine-2-sulfonamide
CID 106052257
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide (CID 106052222) is 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide is CCN(CC)CC(C)NS(=O)(=O)c1cc(CN)oc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide?
The InChIKey is IDBYMEBYVUQBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3O3S/c1-4-16(5-2)8-9(3)15-20(17,18)11-6-10(7-14)19-12(11)13/h6,9,15H,4-5,7-8,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide has a molecular weight of 368.30 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide is sourced from PubChem (CID 106052222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).