2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide

C12H20N2O3S — CID 86784602

IUPAC2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCCN2)c(C)o1
InChIInChI=1S/C12H20N2O3S/c1-9-7-12(10(2)17-9)18(15,16)14-8-11-5-3-4-6-13-11/h7,11,13-14H,3-6,8H2,1-2H3
InChIKeyMAJXISLAJUKTQP-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.32
Rot. Bonds4

About 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide

2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide (PubChem CID 86784602) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide
PubChem CID86784602
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCCN2)c(C)o1
InChIInChI=1S/C12H20N2O3S/c1-9-7-12(10(2)17-9)18(15,16)14-8-11-5-3-4-6-13-11/h7,11,13-14H,3-6,8H2,1-2H3
InChIKeyMAJXISLAJUKTQP-UHFFFAOYSA-N
XLogP1.32
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-4-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 81326902
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
6-methyl-N-(piperidin-2-ylmethyl)pyridazine-3-sulfonamide
CID 71638761
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
2-amino-5-chloro-N-[[(2S)-piperidin-2-yl]methyl]pyridine-3-sulfonamide
CID 124702622
5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974339
methyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62541476
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide (CID 86784602) is 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide is Cc1cc(S(=O)(=O)NCC2CCCCN2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide?
The InChIKey is MAJXISLAJUKTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-7-12(10(2)17-9)18(15,16)14-8-11-5-3-4-6-13-11/h7,11,13-14H,3-6,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide?
2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide is sourced from PubChem (CID 86784602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).