morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

C18H27N3O4S — CID 119680788

IUPACmorpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CNCCO3)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-14(2)15-3-5-16(6-4-15)26(23,24)21-10-8-20(9-11-21)18(22)17-13-19-7-12-25-17/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyBLRVDJKZHBGCIY-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.63
Rot. Bonds4

About morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 119680788) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID119680788
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Namemorpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CNCCO3)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-14(2)15-3-5-16(6-4-15)26(23,24)21-10-8-20(9-11-21)18(22)17-13-19-7-12-25-17/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyBLRVDJKZHBGCIY-UHFFFAOYSA-N
XLogP0.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119678332
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-morpholin-2-ylmethanone
CID 119696011
piperidin-4-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266637
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
piperidin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266631
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 120783633
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 17377415
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119686787
2-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 117037126
1-(4-propan-2-ylphenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119450125
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119699511

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (CID 119680788) is morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CNCCO3)CC2)cc1.
What is the InChIKey of morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is BLRVDJKZHBGCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14(2)15-3-5-16(6-4-15)26(23,24)21-10-8-20(9-11-21)18(22)17-13-19-7-12-25-17/h3-6,14,17,19H,7-13H2,1-2H3.
What are the key properties of morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 381.50 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 119680788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).