[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

C20H30N2O4S — CID 51322299

IUPAC[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C20H30N2O4S/c1-20(2,3)17-6-8-18(9-7-17)27(24,25)22-10-4-5-16(15-22)19(23)21-11-13-26-14-12-21/h6-9,16H,4-5,10-15H2,1-3H3
InChIKeyBANWFSBIYMHOBU-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.24
Rot. Bonds3

About [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 51322299) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID51322299
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C20H30N2O4S/c1-20(2,3)17-6-8-18(9-7-17)27(24,25)22-10-4-5-16(15-22)19(23)21-11-13-26-14-12-21/h6-9,16H,4-5,10-15H2,1-3H3
InChIKeyBANWFSBIYMHOBU-UHFFFAOYSA-N
XLogP2.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31190301
[1-(3,5-dichlorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 24604852
3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 40503494
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55518467
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
N-[2-methoxy-5-[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 24604869
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 51322299) is [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is CC(C)(C)c1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BANWFSBIYMHOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-20(2,3)17-6-8-18(9-7-17)27(24,25)22-10-4-5-16(15-22)19(23)21-11-13-26-14-12-21/h6-9,16H,4-5,10-15H2,1-3H3.
What are the key properties of [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 394.54 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51322299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).