1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine

C18H28N2O2S — CID 110708840

IUPAC1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C3CC3)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-14(2)16-6-8-18(9-7-16)23(21,22)20-12-10-19(11-13-20)15(3)17-4-5-17/h6-9,14-15,17H,4-5,10-13H2,1-3H3
InChIKeyGYWISJKYGRMMJW-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.91
Rot. Bonds5

About 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine

1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine (PubChem CID 110708840) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
PubChem CID110708840
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C3CC3)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-14(2)16-6-8-18(9-7-16)23(21,22)20-12-10-19(11-13-20)15(3)17-4-5-17/h6-9,14-15,17H,4-5,10-13H2,1-3H3
InChIKeyGYWISJKYGRMMJW-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 119134269
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine (CID 110708840) is 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine is CC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C3CC3)CC2)cc1.
What is the InChIKey of 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The InChIKey is GYWISJKYGRMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14(2)16-6-8-18(9-7-16)23(21,22)20-12-10-19(11-13-20)15(3)17-4-5-17/h6-9,14-15,17H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine has a molecular weight of 336.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110708840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).