N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

C18H26N2O4S — CID 91906209

IUPACN-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O4S/c1-15(21)20(17-9-13-24-14-10-17)16-7-11-19(12-8-16)25(22,23)18-5-3-2-4-6-18/h2-6,16-17H,7-14H2,1H3
InChIKeyGQLAKHQSCBMVOO-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.87
Rot. Bonds4

About N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 91906209) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID91906209
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O4S/c1-15(21)20(17-9-13-24-14-10-17)16-7-11-19(12-8-16)25(22,23)18-5-3-2-4-6-18/h2-6,16-17H,7-14H2,1H3
InChIKeyGQLAKHQSCBMVOO-UHFFFAOYSA-N
XLogP1.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906159
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110353774
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906153
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 139008193
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346
N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide
CID 46634722

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 91906209) is N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is CC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is GQLAKHQSCBMVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-15(21)20(17-9-13-24-14-10-17)16-7-11-19(12-8-16)25(22,23)18-5-3-2-4-6-18/h2-6,16-17H,7-14H2,1H3.
What are the key properties of N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 366.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).