2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide

C12H20N2O3S — CID 120723047

IUPAC2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CNCCC2C)c(C)o1
InChIInChI=1S/C12H20N2O3S/c1-8-4-5-13-7-11(8)14-18(15,16)12-6-9(2)17-10(12)3/h6,8,11,13-14H,4-5,7H2,1-3H3
InChIKeyLFTQKGMZFGPEAM-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.17
Rot. Bonds3

About 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide

2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide (PubChem CID 120723047) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide
PubChem CID120723047
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CNCCC2C)c(C)o1
InChIInChI=1S/C12H20N2O3S/c1-8-4-5-13-7-11(8)14-18(15,16)12-6-9(2)17-10(12)3/h6,8,11,13-14H,4-5,7H2,1-3H3
InChIKeyLFTQKGMZFGPEAM-UHFFFAOYSA-N
XLogP1.17
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[[(2,5-dimethylfuran-3-yl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 2738845
N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(1-methylpiperidin-4-yl)furan-3-sulfonamide
CID 75511277
2,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]furan-3-sulfonamide
CID 97858805
1-(2,5-Dimethylfuran-3-yl)sulfonyl-2-methylpiperidin-4-amine
CID 121563725
N-(2,4-dimethylcyclohexyl)-5-methylfuran-2-sulfonamide
CID 136520258
2,5-dimethyl-N-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl]furan-3-sulfonamide
CID 164633229
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-methylfuran-2-sulfonamide
CID 164639516
3-fluoro-N-[1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidin-3-yl]benzenesulfonamide
CID 60261555
[5-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylfuran-2-yl]methanamine
CID 65824748
[5-Methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylfuran-2-yl]methanamine
CID 65825131
3-fluoro-N-[1-[3-(5-methylfuran-2-yl)prop-2-enoyl]piperidin-3-yl]benzenesulfonamide
CID 72687906
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide
CID 120724446

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide (CID 120723047) is 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide is Cc1cc(S(=O)(=O)NC2CNCCC2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide?
The InChIKey is LFTQKGMZFGPEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8-4-5-13-7-11(8)14-18(15,16)12-6-9(2)17-10(12)3/h6,8,11,13-14H,4-5,7H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide?
2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 120723047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).