(2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

C18H26N2O3S — CID 17191243

IUPAC(2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-13(2)15-4-6-16(7-5-15)24(22,23)20-10-8-19(9-11-20)18(21)17-12-14(17)3/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeySCHBCWSSUOYPLA-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.30
Rot. Bonds4

About (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

(2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 17191243) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID17191243
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-13(2)15-4-6-16(7-5-15)24(22,23)20-10-8-19(9-11-20)18(21)17-12-14(17)3/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeySCHBCWSSUOYPLA-UHFFFAOYSA-N
XLogP2.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (CID 17191243) is (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)cc1.
What is the InChIKey of (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is SCHBCWSSUOYPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-13(2)15-4-6-16(7-5-15)24(22,23)20-10-8-19(9-11-20)18(21)17-12-14(17)3/h4-7,13-14,17H,8-12H2,1-3H3.
What are the key properties of (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
(2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 350.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 17191243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).