(1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone

C10H18N2O4S — CID 113266787

IUPAC(1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O4S/c13-10(9-8-11-2-5-16-9)12-3-1-6-17(14,15)7-4-12/h9,11H,1-8H2
InChIKeyMAUZEIGRWVJIDC-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.38
Rot. Bonds1

About (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone

(1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone (PubChem CID 113266787) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone
PubChem CID113266787
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name(1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O4S/c13-10(9-8-11-2-5-16-9)12-3-1-6-17(14,15)7-4-12/h9,11H,1-8H2
InChIKeyMAUZEIGRWVJIDC-UHFFFAOYSA-N
XLogP-1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone?
The IUPAC name of (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone (CID 113266787) is (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone is O=C(C1CNCCO1)N1CCCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone?
The InChIKey is MAUZEIGRWVJIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-10(9-8-11-2-5-16-9)12-3-1-6-17(14,15)7-4-12/h9,11H,1-8H2.
What are the key properties of (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone?
(1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone has a molecular weight of 262.33 g/mol, XLogP of -1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazepan-4-yl)-morpholin-2-ylmethanone is sourced from PubChem (CID 113266787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).