4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine

C14H28N4O5S2 — CID 55598118

IUPAC4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCC1CCCCN1S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H28N4O5S2/c1-14-4-2-3-5-18(14)25(21,22)16-8-6-15(7-9-16)24(19,20)17-10-12-23-13-11-17/h14H,2-13H2,1H3
InChIKeyBJYIGCIUWLBTFX-UHFFFAOYSA-N
MW396.54 g/mol
LogP-0.70
Rot. Bonds4

About 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine

4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine (PubChem CID 55598118) has the molecular formula C14H28N4O5S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine
PubChem CID55598118
Molecular FormulaC14H28N4O5S2
Molecular Weight396.54 g/mol
Exact Mass396.15
IUPAC Name4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCC1CCCCN1S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H28N4O5S2/c1-14-4-2-3-5-18(14)25(21,22)16-8-6-15(7-9-16)24(19,20)17-10-12-23-13-11-17/h14H,2-13H2,1H3
InChIKeyBJYIGCIUWLBTFX-UHFFFAOYSA-N
XLogP-0.70
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
1-methyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,4-diazepane
CID 94021502
4-[(2R)-2-ethylpiperidin-1-yl]sulfonylmorpholine
CID 94018182
N'-hydroxy-1-morpholin-4-ylsulfonylpiperidine-2-carboximidamide
CID 77041832
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile
CID 62075705
4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile
CID 78946362
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
4-(2-methylpiperazin-1-yl)sulfonylmorpholine
CID 62674194
1-(2-chloroethyl)-4-(2-methylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 63397127
(3aS,6aS)-5-(2-methylpiperidin-1-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 43602956
N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 63855296

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine (CID 55598118) is 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine is CC1CCCCN1S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The InChIKey is BJYIGCIUWLBTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O5S2/c1-14-4-2-3-5-18(14)25(21,22)16-8-6-15(7-9-16)24(19,20)17-10-12-23-13-11-17/h14H,2-13H2,1H3.
What are the key properties of 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine has a molecular weight of 396.54 g/mol, XLogP of -0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 55598118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).