N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

C12H17BrN2O4S — CID 106853554

IUPACN-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C12H17BrN2O4S/c1-20(17,18)14-7-9-3-2-5-15(8-9)12(16)10-4-6-19-11(10)13/h4,6,9,14H,2-3,5,7-8H2,1H3
InChIKeyNNJFIAMGWVQCTC-UHFFFAOYSA-N
MW365.25 g/mol
LogP1.44
Rot. Bonds4

About N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 106853554) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID106853554
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC NameN-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C12H17BrN2O4S/c1-20(17,18)14-7-9-3-2-5-15(8-9)12(16)10-4-6-19-11(10)13/h4,6,9,14H,2-3,5,7-8H2,1H3
InChIKeyNNJFIAMGWVQCTC-UHFFFAOYSA-N
XLogP1.44
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 106852967
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51083128
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
N-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51079196
N-[[1-(2-iodo-5-nitrobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 55842422
N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51964813
N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51942305

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (CID 106853554) is N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(C(=O)c2ccoc2Br)C1.
What is the InChIKey of N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is NNJFIAMGWVQCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-20(17,18)14-7-9-3-2-5-15(8-9)12(16)10-4-6-19-11(10)13/h4,6,9,14H,2-3,5,7-8H2,1H3.
What are the key properties of N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 365.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 106853554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).