1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine

C15H24N2O3S — CID 7130162

IUPAC1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-4-13(2)16-9-11-17(12-10-16)21(18,19)15-7-5-14(20-3)6-8-15/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyRSCNEPOCFXWWFV-CYBMUJFWSA-N
MW312.44 g/mol
LogP1.80
Rot. Bonds5

About 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine

1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 7130162) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID7130162
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-4-13(2)16-9-11-17(12-10-16)21(18,19)15-7-5-14(20-3)6-8-15/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyRSCNEPOCFXWWFV-CYBMUJFWSA-N
XLogP1.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854
1-(4-methoxyphenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151852
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
1-(4-bromo-3-methylphenyl)sulfonyl-4-butan-2-ylpiperazine
CID 62777859
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 6737163
4-[2-hydroxy-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenol
CID 68846257
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 41168914
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine (CID 7130162) is 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine is CC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is RSCNEPOCFXWWFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-13(2)16-9-11-17(12-10-16)21(18,19)15-7-5-14(20-3)6-8-15/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine?
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 312.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 7130162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).