N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

C21H24N2O4S — CID 71896595

IUPACN-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C21H24N2O4S/c1-28(25,26)22-13-15-7-6-12-23(14-15)21(24)20-16-8-2-4-10-18(16)27-19-11-5-3-9-17(19)20/h2-5,8-11,15,20,22H,6-7,12-14H2,1H3
InChIKeyZHNNNKFKPPMQFE-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.71
Rot. Bonds4

About N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 71896595) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID71896595
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C21H24N2O4S/c1-28(25,26)22-13-15-7-6-12-23(14-15)21(24)20-16-8-2-4-10-18(16)27-19-11-5-3-9-17(19)20/h2-5,8-11,15,20,22H,6-7,12-14H2,1H3
InChIKeyZHNNNKFKPPMQFE-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.71
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
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94029567
3,4-dihydro-2H-chromen-4-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63709581
N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 94029580
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044268
(4-methyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 17164721
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 51120867

Frequently Asked Questions

What is the IUPAC name of N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (CID 71896595) is N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(C(=O)C2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is ZHNNNKFKPPMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-28(25,26)22-13-15-7-6-12-23(14-15)21(24)20-16-8-2-4-10-18(16)27-19-11-5-3-9-17(19)20/h2-5,8-11,15,20,22H,6-7,12-14H2,1H3.
What are the key properties of N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 71896595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).