N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide

C9H15NO3S — CID 64584548

IUPACN-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)C(C)C)o1
InChIInChI=1S/C9H15NO3S/c1-7(2)14(11,12)10-6-9-5-4-8(3)13-9/h4-5,7,10H,6H2,1-3H3
InChIKeyCUXFPQZLAIXENW-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.42
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide

N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide (PubChem CID 64584548) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide
PubChem CID64584548
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)C(C)C)o1
InChIInChI=1S/C9H15NO3S/c1-7(2)14(11,12)10-6-9-5-4-8(3)13-9/h4-5,7,10H,6H2,1-3H3
InChIKeyCUXFPQZLAIXENW-UHFFFAOYSA-N
XLogP1.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide
CID 62525259
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731718
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
CID 110731727
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522523
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 62525272
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide (CID 64584548) is N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide is Cc1ccc(CNS(=O)(=O)C(C)C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide?
The InChIKey is CUXFPQZLAIXENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-7(2)14(11,12)10-6-9-5-4-8(3)13-9/h4-5,7,10H,6H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide?
N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 64584548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).