1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine

C14H19FN2O2S — CID 61046329

IUPAC1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H19FN2O2S/c15-13-3-1-2-4-14(13)20(18,19)17-9-7-16(8-10-17)11-12-5-6-12/h1-4,12H,5-11H2
InChIKeyJIELKDOHDNRVMD-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.54
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine

1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine (PubChem CID 61046329) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
PubChem CID61046329
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H19FN2O2S/c15-13-3-1-2-4-14(13)20(18,19)17-9-7-16(8-10-17)11-12-5-6-12/h1-4,12H,5-11H2
InChIKeyJIELKDOHDNRVMD-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
CID 163331835
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8690232
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8690224
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
1-(2-nitrophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119929358
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine
CID 61442880
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 26527715

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine (CID 61046329) is 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccccc1F)N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine?
The InChIKey is JIELKDOHDNRVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-13-3-1-2-4-14(13)20(18,19)17-9-7-16(8-10-17)11-12-5-6-12/h1-4,12H,5-11H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine?
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine has a molecular weight of 298.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 61046329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).