3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide

C15H23N3O4S — CID 9115904

IUPAC3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H23N3O4S/c16-15(20)5-11-23(21,22)12-10-17-6-8-18(9-7-17)13-1-3-14(19)4-2-13/h1-4,19H,5-12H2,(H2,16,20)
InChIKeySOYPDZYMAHALMS-UHFFFAOYSA-N
MW341.43 g/mol
LogP-0.20
Rot. Bonds7

About 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide

3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide (PubChem CID 9115904) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide
PubChem CID9115904
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H23N3O4S/c16-15(20)5-11-23(21,22)12-10-17-6-8-18(9-7-17)13-1-3-14(19)4-2-13/h1-4,19H,5-12H2,(H2,16,20)
InChIKeySOYPDZYMAHALMS-UHFFFAOYSA-N
XLogP-0.20
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
CID 134069455
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
CID 63596397
3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 62068766
[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67280973
4-(4-propylsulfonylpiperazin-1-yl)phenol
CID 2422978
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonic acid
CID 22147110
4-[4-[2-(1H-imidazol-2-yl)ethyl]piperazin-1-yl]phenol
CID 167971614
4-[4-(4-hydroxybutyl)piperazin-1-yl]benzenesulfonic acid
CID 91297710

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide (CID 9115904) is 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide is NC(=O)CCS(=O)(=O)CCN1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide?
The InChIKey is SOYPDZYMAHALMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c16-15(20)5-11-23(21,22)12-10-17-6-8-18(9-7-17)13-1-3-14(19)4-2-13/h1-4,19H,5-12H2,(H2,16,20).
What are the key properties of 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide?
3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide has a molecular weight of 341.43 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylsulfonyl]propanamide is sourced from PubChem (CID 9115904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).