(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone

C17H24N2O3S — CID 119471707

IUPAC(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-13-12-18-10-11-19(13)17(20)14-6-8-16(9-7-14)23(21,22)15-4-2-3-5-15/h6-9,13,15,18H,2-5,10-12H2,1H3
InChIKeyOJDUWWGEHDCURC-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.84
Rot. Bonds3

About (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone

(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 119471707) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID119471707
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-13-12-18-10-11-19(13)17(20)14-6-8-16(9-7-14)23(21,22)15-4-2-3-5-15/h6-9,13,15,18H,2-5,10-12H2,1H3
InChIKeyOJDUWWGEHDCURC-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471706
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
(4-benzylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472214
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 119472055
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone (CID 119471707) is (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is OJDUWWGEHDCURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-12-18-10-11-19(13)17(20)14-6-8-16(9-7-14)23(21,22)15-4-2-3-5-15/h6-9,13,15,18H,2-5,10-12H2,1H3.
What are the key properties of (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone?
(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 336.46 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119471707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).