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

C13H20N2O4S — CID 97073184

IUPACN-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1ccoc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-10-6-8-19-12(10)13(16)15-7-4-3-5-11(15)9-14-20(2,17)18/h6,8,11,14H,3-5,7,9H2,1-2H3/t11-/m0/s1
InChIKeyFJJDXPJVRMXXGB-NSHDSACASA-N
MW300.38 g/mol
LogP1.13
Rot. Bonds4

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

N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 97073184) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID97073184
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1ccoc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-10-6-8-19-12(10)13(16)15-7-4-3-5-11(15)9-14-20(2,17)18/h6,8,11,14H,3-5,7,9H2,1-2H3/t11-/m0/s1
InChIKeyFJJDXPJVRMXXGB-NSHDSACASA-N
XLogP1.13
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
[2-(chloromethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63395106
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
N-[[1-(6-methylpyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073456
N-[[(2R)-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 124883784
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855
N-[[1-[4-(piperidin-1-ylmethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43062811

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 97073184) is N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is Cc1ccoc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O.
What is the InChIKey of N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is FJJDXPJVRMXXGB-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-6-8-19-12(10)13(16)15-7-4-3-5-11(15)9-14-20(2,17)18/h6,8,11,14H,3-5,7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97073184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).