(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone

C16H24N2O3S — CID 120570068

IUPAC(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
SMILESCC1NCCN(C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)C1C
InChIInChI=1S/C16H24N2O3S/c1-11(2)22(20,21)15-7-5-14(6-8-15)16(19)18-10-9-17-12(3)13(18)4/h5-8,11-13,17H,9-10H2,1-4H3
InChIKeyXIUGKTIHPLJBHS-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.69
Rot. Bonds3

About (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone

(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone (PubChem CID 120570068) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
PubChem CID120570068
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
SMILESCC1NCCN(C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)C1C
InChIInChI=1S/C16H24N2O3S/c1-11(2)22(20,21)15-7-5-14(6-8-15)16(19)18-10-9-17-12(3)13(18)4/h5-8,11-13,17H,9-10H2,1-4H3
InChIKeyXIUGKTIHPLJBHS-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 120570067
4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 120572157
(2,3-dimethylpiperazin-1-yl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 120572727
[4-(difluoromethylsulfonylmethyl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572482
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
4-(2,3-dimethylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 120569814
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
CID 120571735
4-(2,3-dimethylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 120570714
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 120571312
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(2,3-dimethylpiperazin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 120570699
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone (CID 120570068) is (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone is CC1NCCN(C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone?
The InChIKey is XIUGKTIHPLJBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11(2)22(20,21)15-7-5-14(6-8-15)16(19)18-10-9-17-12(3)13(18)4/h5-8,11-13,17H,9-10H2,1-4H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone?
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone has a molecular weight of 324.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone is sourced from PubChem (CID 120570068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).