(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone

C16H30N4O6S2 — CID 55563956

IUPAC(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H30N4O6S2/c1-2-14-27(22,23)20-5-3-4-15(20)16(21)17-6-8-18(9-7-17)28(24,25)19-10-12-26-13-11-19/h15H,2-14H2,1H3
InChIKeyBEIWFWQMUDQALI-UHFFFAOYSA-N
MW438.57 g/mol
LogP-1.09
Rot. Bonds6

About (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone

(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 55563956) has the molecular formula C16H30N4O6S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
PubChem CID55563956
Molecular FormulaC16H30N4O6S2
Molecular Weight438.57 g/mol
Exact Mass438.16
IUPAC Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H30N4O6S2/c1-2-14-27(22,23)20-5-3-4-15(20)16(21)17-6-8-18(9-7-17)28(24,25)19-10-12-26-13-11-19/h15H,2-14H2,1H3
InChIKeyBEIWFWQMUDQALI-UHFFFAOYSA-N
XLogP-1.09
TPSA107.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55447192
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
CID 146129267
N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55992321
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
(2,2-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-2-yl)methanone
CID 87046016
2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide
CID 112684499
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55431186

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone (CID 55563956) is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone is CCCS(=O)(=O)N1CCCC1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is BEIWFWQMUDQALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O6S2/c1-2-14-27(22,23)20-5-3-4-15(20)16(21)17-6-8-18(9-7-17)28(24,25)19-10-12-26-13-11-19/h15H,2-14H2,1H3.
What are the key properties of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone?
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 438.57 g/mol, XLogP of -1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 55563956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).