N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide

C12H18N2O4S — CID 47184451

IUPACN-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCCC(NS(C)(=O)=O)C2)o1
InChIInChI=1S/C12H18N2O4S/c1-9-5-6-11(18-9)12(15)14-7-3-4-10(8-14)13-19(2,16)17/h5-6,10,13H,3-4,7-8H2,1-2H3
InChIKeyWBAYXJPABARLQF-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.74
Rot. Bonds3

About N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide

N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 47184451) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID47184451
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCCC(NS(C)(=O)=O)C2)o1
InChIInChI=1S/C12H18N2O4S/c1-9-5-6-11(18-9)12(15)14-7-3-4-10(8-14)13-19(2,16)17/h5-6,10,13H,3-4,7-8H2,1-2H3
InChIKeyWBAYXJPABARLQF-UHFFFAOYSA-N
XLogP0.74
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
CID 103907786
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 164641791
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
N-[[(1S,3aR,7aR)-5-(5-methylfuran-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97461784
[3-(2-chloroethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 55186498
N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079114
(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492575

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide (CID 47184451) is N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide is Cc1ccc(C(=O)N2CCCC(NS(C)(=O)=O)C2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is WBAYXJPABARLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-5-6-11(18-9)12(15)14-7-3-4-10(8-14)13-19(2,16)17/h5-6,10,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 47184451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).