4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine

C11H23N3O3S — CID 43613384

IUPAC4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O3S/c1-2-11-10-17-9-8-14(11)18(15,16)13-6-3-4-12-5-7-13/h11-12H,2-10H2,1H3
InChIKeyKBQQCYRSUQUPBC-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.36
Rot. Bonds3

About 4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine

4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine (PubChem CID 43613384) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine
PubChem CID43613384
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O3S/c1-2-11-10-17-9-8-14(11)18(15,16)13-6-3-4-12-5-7-13/h11-12H,2-10H2,1H3
InChIKeyKBQQCYRSUQUPBC-UHFFFAOYSA-N
XLogP-0.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.36
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)-3-ethylmorpholine?
The IUPAC name of 4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine (CID 43613384) is 4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine.
What is the SMILES notation for 4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine?
The canonical SMILES for 4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine is CCC1COCCN1S(=O)(=O)N1CCCNCC1.
What is the InChIKey of 4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine?
The InChIKey is KBQQCYRSUQUPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-2-11-10-17-9-8-14(11)18(15,16)13-6-3-4-12-5-7-13/h11-12H,2-10H2,1H3.
What are the key properties of 4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine?
4-(1,4-diazepan-1-ylsulfonyl)-3-ethylmorpholine has a molecular weight of 277.39 g/mol, XLogP of -0.36, 3 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)-3-ethylmorpholine is sourced from PubChem (CID 43613384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).