[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate

C9H15NO4S — CID 129254295

IUPAC[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate
SMILESCNC(COS(C)(=O)=O)Cc1ccco1
InChIInChI=1S/C9H15NO4S/c1-10-8(7-14-15(2,11)12)6-9-4-3-5-13-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyBZAABCBWPZROPI-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.39
Rot. Bonds6

About [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate

[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate (PubChem CID 129254295) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate.

Molecular Properties

Compound Name[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate
PubChem CID129254295
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate
SMILESCNC(COS(C)(=O)=O)Cc1ccco1
InChIInChI=1S/C9H15NO4S/c1-10-8(7-14-15(2,11)12)6-9-4-3-5-13-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyBZAABCBWPZROPI-UHFFFAOYSA-N
XLogP0.39
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate
CID 163432769
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 105177249
4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 83182874
1-(furan-2-yl)-N,4,5,5-tetramethylhexan-2-amine
CID 105029568
1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113102
1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148345
1-(furan-2-yl)-N-methyl-3-naphthalen-2-ylpropan-2-amine
CID 105177393
1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105029270
[1-ethoxy-3-(furan-2-yl)propan-2-yl]hydrazine
CID 105235330

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate?
The IUPAC name of [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate (CID 129254295) is [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate.
What is the SMILES notation for [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate?
The canonical SMILES for [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate is CNC(COS(C)(=O)=O)Cc1ccco1.
What is the InChIKey of [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate?
The InChIKey is BZAABCBWPZROPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-10-8(7-14-15(2,11)12)6-9-4-3-5-13-9/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate?
[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate has a molecular weight of 233.29 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate is sourced from PubChem (CID 129254295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).