(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone

C20H28ClN3O5S — CID 55617761

IUPAC(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3COc4ccc(Cl)cc4C3)CC2)CC(C)O1
InChIInChI=1S/C20H28ClN3O5S/c1-14-11-24(12-15(2)29-14)30(26,27)23-7-5-22(6-8-23)20(25)17-9-16-10-18(21)3-4-19(16)28-13-17/h3-4,10,14-15,17H,5-9,11-13H2,1-2H3
InChIKeyKYGCXCOZEKUDQJ-UHFFFAOYSA-N
MW457.98 g/mol
LogP1.39
Rot. Bonds3

About (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone

(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 55617761) has the molecular formula C20H28ClN3O5S and a molecular weight of 457.98 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID55617761
Molecular FormulaC20H28ClN3O5S
Molecular Weight457.98 g/mol
Exact Mass457.14
IUPAC Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3COc4ccc(Cl)cc4C3)CC2)CC(C)O1
InChIInChI=1S/C20H28ClN3O5S/c1-14-11-24(12-15(2)29-14)30(26,27)23-7-5-22(6-8-23)20(25)17-9-16-10-18(21)3-4-19(16)28-13-17/h3-4,10,14-15,17H,5-9,11-13H2,1-2H3
InChIKeyKYGCXCOZEKUDQJ-UHFFFAOYSA-N
XLogP1.39
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

azepan-1-yl-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]methanone
CID 8547957
1-[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-4-carboxamide
CID 36841750
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 8967651
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17417053
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542766
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 120657795
2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide
CID 94215472
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 8968410
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 126775379
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone
CID 47168182
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 9088245
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 8968322

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone (CID 55617761) is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone is CC1CN(S(=O)(=O)N2CCN(C(=O)C3COc4ccc(Cl)cc4C3)CC2)CC(C)O1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is KYGCXCOZEKUDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O5S/c1-14-11-24(12-15(2)29-14)30(26,27)23-7-5-22(6-8-23)20(25)17-9-16-10-18(21)3-4-19(16)28-13-17/h3-4,10,14-15,17H,5-9,11-13H2,1-2H3.
What are the key properties of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone?
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 457.98 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55617761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).