5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide

C12H20N2O3S — CID 71939890

IUPAC5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(Cc1ccc(S(=O)(=O)N(C)C)o1)CC1CC1
InChIInChI=1S/C12H20N2O3S/c1-13(2)18(15,16)12-7-6-11(17-12)9-14(3)8-10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyKULMHICFJUHVHA-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.37
Rot. Bonds6

About 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide

5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 71939890) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID71939890
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(Cc1ccc(S(=O)(=O)N(C)C)o1)CC1CC1
InChIInChI=1S/C12H20N2O3S/c1-13(2)18(15,16)12-7-6-11(17-12)9-14(3)8-10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyKULMHICFJUHVHA-UHFFFAOYSA-N
XLogP1.37
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide (CID 71939890) is 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide is CN(Cc1ccc(S(=O)(=O)N(C)C)o1)CC1CC1.
What is the InChIKey of 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is KULMHICFJUHVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-13(2)18(15,16)12-7-6-11(17-12)9-14(3)8-10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropylmethyl(methyl)amino]methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 71939890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).