2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide

C14H23BrN2O3S — CID 106055474

IUPAC2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CNC2CC2)oc1Br
InChIInChI=1S/C14H23BrN2O3S/c1-3-5-10(4-2)17-21(18,19)13-8-12(20-14(13)15)9-16-11-6-7-11/h8,10-11,16-17H,3-7,9H2,1-2H3
InChIKeySELFESWIUCPJSL-UHFFFAOYSA-N
MW379.32 g/mol
LogP3.15
Rot. Bonds9

About 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide

2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide (PubChem CID 106055474) has the molecular formula C14H23BrN2O3S and a molecular weight of 379.32 g/mol. Its IUPAC name is 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide
PubChem CID106055474
Molecular FormulaC14H23BrN2O3S
Molecular Weight379.32 g/mol
Exact Mass378.06
IUPAC Name2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CNC2CC2)oc1Br
InChIInChI=1S/C14H23BrN2O3S/c1-3-5-10(4-2)17-21(18,19)13-8-12(20-14(13)15)9-16-11-6-7-11/h8,10-11,16-17H,3-7,9H2,1-2H3
InChIKeySELFESWIUCPJSL-UHFFFAOYSA-N
XLogP3.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide
CID 115409144
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084232
2-bromo-5-[(cyclopropylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)furan-3-sulfonamide
CID 106051655
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114134681
4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 106031989
2-bromo-5-[(cyclopropylamino)methyl]-N-pentan-2-ylthiophene-3-sulfonamide
CID 106046551
5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
CID 106079338

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide?
The IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide (CID 106055474) is 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide?
The canonical SMILES for 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1cc(CNC2CC2)oc1Br.
What is the InChIKey of 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide?
The InChIKey is SELFESWIUCPJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O3S/c1-3-5-10(4-2)17-21(18,19)13-8-12(20-14(13)15)9-16-11-6-7-11/h8,10-11,16-17H,3-7,9H2,1-2H3.
What are the key properties of 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide?
2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide has a molecular weight of 379.32 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide is sourced from PubChem (CID 106055474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).