4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine

C13H26N4O6S2 — CID 1258870

IUPAC4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H26N4O6S2/c18-24(19,16-6-10-22-11-7-16)14-2-1-3-15(5-4-14)25(20,21)17-8-12-23-13-9-17/h1-13H2
InChIKeyRILHUJZMHXRJAN-UHFFFAOYSA-N
MW398.51 g/mol
LogP-1.85
Rot. Bonds4

About 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine

4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine (PubChem CID 1258870) has the molecular formula C13H26N4O6S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
PubChem CID1258870
Molecular FormulaC13H26N4O6S2
Molecular Weight398.51 g/mol
Exact Mass398.13
IUPAC Name4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H26N4O6S2/c18-24(19,16-6-10-22-11-7-16)14-2-1-3-15(5-4-14)25(20,21)17-8-12-23-13-9-17/h1-13H2
InChIKeyRILHUJZMHXRJAN-UHFFFAOYSA-N
XLogP-1.85
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine (CID 1258870) is 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine is O=S(=O)(N1CCOCC1)N1CCCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine?
The InChIKey is RILHUJZMHXRJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O6S2/c18-24(19,16-6-10-22-11-7-16)14-2-1-3-15(5-4-14)25(20,21)17-8-12-23-13-9-17/h1-13H2.
What are the key properties of 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine?
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine has a molecular weight of 398.51 g/mol, XLogP of -1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine is sourced from PubChem (CID 1258870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).