1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine

C15H22N2O2S — CID 110708713

IUPAC1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C15H22N2O2S/c1-13-3-2-4-15(11-13)20(18,19)17-9-7-16(8-10-17)12-14-5-6-14/h2-4,11,14H,5-10,12H2,1H3
InChIKeyIBNIZPHGWNKOKC-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.71
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine

1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine (PubChem CID 110708713) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
PubChem CID110708713
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C15H22N2O2S/c1-13-3-2-4-15(11-13)20(18,19)17-9-7-16(8-10-17)12-14-5-6-14/h2-4,11,14H,5-10,12H2,1H3
InChIKeyIBNIZPHGWNKOKC-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865689
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 62152115
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
2-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetic acid
CID 62825341
1-(piperidin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119929378
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
CID 46287318
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-3-methylaniline
CID 61116607

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine (CID 110708713) is 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine is Cc1cccc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine?
The InChIKey is IBNIZPHGWNKOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-13-3-2-4-15(11-13)20(18,19)17-9-7-16(8-10-17)12-14-5-6-14/h2-4,11,14H,5-10,12H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine?
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine has a molecular weight of 294.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110708713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).