[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

C19H29N3O4S — CID 34052568

IUPAC[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-16(2)15-17-3-5-18(6-4-17)27(24,25)22-9-7-20(8-10-22)19(23)21-11-13-26-14-12-21/h3-6,16H,7-15H2,1-2H3
InChIKeyHOLFHTUPWGXPJB-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.64
Rot. Bonds4

About [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 34052568) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID34052568
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-16(2)15-17-3-5-18(6-4-17)27(24,25)22-9-7-20(8-10-22)19(23)21-11-13-26-14-12-21/h3-6,16H,7-15H2,1-2H3
InChIKeyHOLFHTUPWGXPJB-UHFFFAOYSA-N
XLogP1.64
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
2-methyl-1-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796956
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422712
[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603024
acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 21266112
1-(4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 146051612
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(4-nitrophenyl)piperazine
CID 2942834
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (CID 34052568) is [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is HOLFHTUPWGXPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-16(2)15-17-3-5-18(6-4-17)27(24,25)22-9-7-20(8-10-22)19(23)21-11-13-26-14-12-21/h3-6,16H,7-15H2,1-2H3.
What are the key properties of [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 395.53 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 34052568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).