4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine

C10H21N3O3S — CID 43209464

IUPAC4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCCNCC2)CCO1
InChIInChI=1S/C10H21N3O3S/c1-10-9-13(7-8-16-10)17(14,15)12-5-2-3-11-4-6-12/h10-11H,2-9H2,1H3
InChIKeyIARIEAUYHRFGGA-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.75
Rot. Bonds2

About 4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine

4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine (PubChem CID 43209464) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine
PubChem CID43209464
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCCNCC2)CCO1
InChIInChI=1S/C10H21N3O3S/c1-10-9-13(7-8-16-10)17(14,15)12-5-2-3-11-4-6-12/h10-11H,2-9H2,1H3
InChIKeyIARIEAUYHRFGGA-UHFFFAOYSA-N
XLogP-0.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.75
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)-2-methylmorpholine?
The IUPAC name of 4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine (CID 43209464) is 4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine.
What is the SMILES notation for 4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine?
The canonical SMILES for 4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine is CC1CN(S(=O)(=O)N2CCCNCC2)CCO1.
What is the InChIKey of 4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine?
The InChIKey is IARIEAUYHRFGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-10-9-13(7-8-16-10)17(14,15)12-5-2-3-11-4-6-12/h10-11H,2-9H2,1H3.
What are the key properties of 4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine?
4-(1,4-diazepan-1-ylsulfonyl)-2-methylmorpholine has a molecular weight of 263.36 g/mol, XLogP of -0.75, 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)-2-methylmorpholine is sourced from PubChem (CID 43209464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).