1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine

C14H22N2O3S — CID 91823993

IUPAC1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
SMILESCOc1cccc(S(=O)(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C14H22N2O3S/c1-12(2)15-7-9-16(10-8-15)20(17,18)14-6-4-5-13(11-14)19-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyBTZUENUIOYEFFS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.41
Rot. Bonds4

About 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine

1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine (PubChem CID 91823993) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
PubChem CID91823993
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
SMILESCOc1cccc(S(=O)(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C14H22N2O3S/c1-12(2)15-7-9-16(10-8-15)20(17,18)14-6-4-5-13(11-14)19-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyBTZUENUIOYEFFS-UHFFFAOYSA-N
XLogP1.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
CID 95760565
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43585548
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001
2-ethyl-1-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110818097
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 23961657
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine (CID 91823993) is 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine is COc1cccc(S(=O)(=O)N2CCN(C(C)C)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine?
The InChIKey is BTZUENUIOYEFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12(2)15-7-9-16(10-8-15)20(17,18)14-6-4-5-13(11-14)19-3/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine?
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 91823993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).