N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide

C20H28N2O4S — CID 139008193

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC12CCOCC2
InChIInChI=1S/C20H28N2O4S/c23-19(18-14-20(18)8-12-26-13-9-20)21-15-16-6-10-22(11-7-16)27(24,25)17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,21,23)
InChIKeyUBFDGOVIZRCNLA-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.02
Rot. Bonds5

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 139008193) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID139008193
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC12CCOCC2
InChIInChI=1S/C20H28N2O4S/c23-19(18-14-20(18)8-12-26-13-9-20)21-15-16-6-10-22(11-7-16)27(24,25)17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,21,23)
InChIKeyUBFDGOVIZRCNLA-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7130571
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CID 119310285
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
CID 110930259
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56522063
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 2810659
N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 91906209
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111091360
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
CID 47086847

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide (CID 139008193) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide is O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC12CCOCC2.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is UBFDGOVIZRCNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c23-19(18-14-20(18)8-12-26-13-9-20)21-15-16-6-10-22(11-7-16)27(24,25)17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,21,23).
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 139008193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).