1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine

C15H32N2O2S — CID 126603443

IUPAC1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine
SMILESCCC(CCN1CCN(S(=O)(=O)C(C)C)CC1)C(C)C
InChIInChI=1S/C15H32N2O2S/c1-6-15(13(2)3)7-8-16-9-11-17(12-10-16)20(18,19)14(4)5/h13-15H,6-12H2,1-5H3
InChIKeyPOJKNJPWPYMXAU-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.41
Rot. Bonds7

About 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine

1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine (PubChem CID 126603443) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine
PubChem CID126603443
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine
SMILESCCC(CCN1CCN(S(=O)(=O)C(C)C)CC1)C(C)C
InChIInChI=1S/C15H32N2O2S/c1-6-15(13(2)3)7-8-16-9-11-17(12-10-16)20(18,19)14(4)5/h13-15H,6-12H2,1-5H3
InChIKeyPOJKNJPWPYMXAU-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine?
The IUPAC name of 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine (CID 126603443) is 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine is CCC(CCN1CCN(S(=O)(=O)C(C)C)CC1)C(C)C.
What is the InChIKey of 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine?
The InChIKey is POJKNJPWPYMXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-15(13(2)3)7-8-16-9-11-17(12-10-16)20(18,19)14(4)5/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine?
1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine has a molecular weight of 304.50 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpentyl)-4-propan-2-ylsulfonylpiperazine is sourced from PubChem (CID 126603443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).