4-(1,4-diazepan-1-ylsulfonyl)morpholine

C9H19N3O3S — CID 11118448

IUPAC4-(1,4-diazepan-1-ylsulfonyl)morpholine
SMILESO=S(=O)(N1CCCNCC1)N1CCOCC1
InChIInChI=1S/C9H19N3O3S/c13-16(14,12-6-8-15-9-7-12)11-4-1-2-10-3-5-11/h10H,1-9H2
InChIKeySWIILVWKJLSFKZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.14
Rot. Bonds2

About 4-(1,4-diazepan-1-ylsulfonyl)morpholine

4-(1,4-diazepan-1-ylsulfonyl)morpholine (PubChem CID 11118448) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-ylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(1,4-diazepan-1-ylsulfonyl)morpholine
PubChem CID11118448
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-(1,4-diazepan-1-ylsulfonyl)morpholine
SMILESO=S(=O)(N1CCCNCC1)N1CCOCC1
InChIInChI=1S/C9H19N3O3S/c13-16(14,12-6-8-15-9-7-12)11-4-1-2-10-3-5-11/h10H,1-9H2
InChIKeySWIILVWKJLSFKZ-UHFFFAOYSA-N
XLogP-1.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepan-1-ylsulfonyl)morpholine?
The IUPAC name of 4-(1,4-diazepan-1-ylsulfonyl)morpholine (CID 11118448) is 4-(1,4-diazepan-1-ylsulfonyl)morpholine.
What is the SMILES notation for 4-(1,4-diazepan-1-ylsulfonyl)morpholine?
The canonical SMILES for 4-(1,4-diazepan-1-ylsulfonyl)morpholine is O=S(=O)(N1CCCNCC1)N1CCOCC1.
What is the InChIKey of 4-(1,4-diazepan-1-ylsulfonyl)morpholine?
The InChIKey is SWIILVWKJLSFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c13-16(14,12-6-8-15-9-7-12)11-4-1-2-10-3-5-11/h10H,1-9H2.
What are the key properties of 4-(1,4-diazepan-1-ylsulfonyl)morpholine?
4-(1,4-diazepan-1-ylsulfonyl)morpholine has a molecular weight of 249.34 g/mol, XLogP of -1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-ylsulfonyl)morpholine is sourced from PubChem (CID 11118448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).