(2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine

C11H23N3O3S — CID 28746660

IUPAC(2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCCNCC2)C[C@H](C)O1
InChIInChI=1S/C11H23N3O3S/c1-10-8-14(9-11(2)17-10)18(15,16)13-6-3-4-12-5-7-13/h10-12H,3-9H2,1-2H3/t10-,11+
InChIKeyQWJNHRHVGNMZSZ-PHIMTYICSA-N
MW277.39 g/mol
LogP-0.36
Rot. Bonds2

About (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine

(2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine (PubChem CID 28746660) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine
PubChem CID28746660
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name(2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCCNCC2)C[C@H](C)O1
InChIInChI=1S/C11H23N3O3S/c1-10-8-14(9-11(2)17-10)18(15,16)13-6-3-4-12-5-7-13/h10-12H,3-9H2,1-2H3/t10-,11+
InChIKeyQWJNHRHVGNMZSZ-PHIMTYICSA-N
XLogP-0.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine (CID 28746660) is (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine is C[C@@H]1CN(S(=O)(=O)N2CCCNCC2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine?
The InChIKey is QWJNHRHVGNMZSZ-PHIMTYICSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-10-8-14(9-11(2)17-10)18(15,16)13-6-3-4-12-5-7-13/h10-12H,3-9H2,1-2H3/t10-,11+.
What are the key properties of (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine has a molecular weight of 277.39 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 28746660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).