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

C17H25ClN2O3S — CID 119471706

IUPAC(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C17H24N2O3S.ClH/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;1H
InChIKeyNZLNJCXPTJELLM-UHFFFAOYSA-N
MW372.92 g/mol
LogP2.26
Rot. Bonds3

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

(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119471706) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119471706
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C17H24N2O3S.ClH/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;1H
InChIKeyNZLNJCXPTJELLM-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119471707
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(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)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 119472055
N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119471610
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
[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;hydrochloride?
The IUPAC name of (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119471706) is (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl.
What is the InChIKey of (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is NZLNJCXPTJELLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S.ClH/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;1H.
What are the key properties of (4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 372.92 g/mol, XLogP of 2.26, 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;hydrochloride is sourced from PubChem (CID 119471706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).