(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone

C16H23N3O4S — CID 119472047

IUPAC(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCC1CNCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O4S/c1-13-12-17-5-6-19(13)16(20)14-3-2-4-15(11-14)24(21,22)18-7-9-23-10-8-18/h2-4,11,13,17H,5-10,12H2,1H3
InChIKeyDPYHZKFQOIIPCP-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.14
Rot. Bonds3

About (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone

(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 119472047) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID119472047
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCC1CNCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O4S/c1-13-12-17-5-6-19(13)16(20)14-3-2-4-15(11-14)24(21,22)18-7-9-23-10-8-18/h2-4,11,13,17H,5-10,12H2,1H3
InChIKeyDPYHZKFQOIIPCP-UHFFFAOYSA-N
XLogP0.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119470172
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 60534827
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
1-(2-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 119473271
(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 110353758
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone (CID 119472047) is (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone is CC1CNCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is DPYHZKFQOIIPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-13-12-17-5-6-19(13)16(20)14-3-2-4-15(11-14)24(21,22)18-7-9-23-10-8-18/h2-4,11,13,17H,5-10,12H2,1H3.
What are the key properties of (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone?
(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 353.44 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 119472047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).