[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

C17H24N2O3S — CID 110281141

IUPAC[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3S/c1-23(21,22)12-11-18-7-9-19(10-8-18)17(20)16-13-15(16)14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyIPKBJWVEXWKZDH-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.98
Rot. Bonds5

About [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 110281141) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID110281141
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3S/c1-23(21,22)12-11-18-7-9-19(10-8-18)17(20)16-13-15(16)14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyIPKBJWVEXWKZDH-UHFFFAOYSA-N
XLogP0.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110629306
3-methylsulfonyl-1-(2-phenylcyclopropyl)propan-1-one
CID 114969559
2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 56820036
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 35280818
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95590694
1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 95753443
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 110611250
(2-phenylcyclopropyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56819682
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95140275
1-[4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 56544721
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone (CID 110281141) is [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone is CS(=O)(=O)CCN1CCN(C(=O)C2CC2c2ccccc2)CC1.
What is the InChIKey of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is IPKBJWVEXWKZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-23(21,22)12-11-18-7-9-19(10-8-18)17(20)16-13-15(16)14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3.
What are the key properties of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 336.46 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 110281141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).