1-oxa-4,13-dithia-7,10-diazacyclopentadecane

C10H22N2OS2 — CID 15321739

IUPAC1-oxa-4,13-dithia-7,10-diazacyclopentadecane
SMILESC1CNCCSCCOCCSCCN1
InChIInChI=1S/C10H22N2OS2/c1-2-12-4-8-15-10-6-13-5-9-14-7-3-11-1/h11-12H,1-10H2
InChIKeyMAHUEQKZGHKBNZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP0.66
Rot. Bonds

About 1-oxa-4,13-dithia-7,10-diazacyclopentadecane

1-oxa-4,13-dithia-7,10-diazacyclopentadecane (PubChem CID 15321739) has the molecular formula C10H22N2OS2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-oxa-4,13-dithia-7,10-diazacyclopentadecane.

Molecular Properties

Compound Name1-oxa-4,13-dithia-7,10-diazacyclopentadecane
PubChem CID15321739
Molecular FormulaC10H22N2OS2
Molecular Weight250.43 g/mol
Exact Mass250.12
IUPAC Name1-oxa-4,13-dithia-7,10-diazacyclopentadecane
SMILESC1CNCCSCCOCCSCCN1
InChIInChI=1S/C10H22N2OS2/c1-2-12-4-8-15-10-6-13-5-9-14-7-3-11-1/h11-12H,1-10H2
InChIKeyMAHUEQKZGHKBNZ-UHFFFAOYSA-N
XLogP0.66
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-Dioxa-7,13-dithia-10-azacyclopentadecane
CID 11680397
1-Oxa-7-thia-4,10-diazacyclododecane
CID 14793296
1-Oxa-4,10-dithia-7-azacyclododecane
CID 23002794
1-Oxa-4,10,16-trithia-7,13-diazacyclooctadecane
CID 10935832
2-[2-[2-(2-Aminoethylsulfanyl)ethoxy]ethylsulfanyl]ethanamine
CID 15344381
1,13-Dioxa-4,10-dithia-7,16-diazacyclooctadecane
CID 20364304
N'-[3-(2-ethoxypropan-2-ylsulfanyl)propyl]ethane-1,2-diamine
CID 141966107
2-[2-(2-Tert-butylsulfanylethoxy)ethylsulfanyl-ethylamino]ethyl-ethylazanium
CID 144432697
ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine
CID 145053739
1-Oxa-4,7-dithia-10-azacyclododecane
CID 154037007
1-Oxa-7,10-dithia-4,13-diazacyclopentadecane
CID 11172754
1,10-Dioxa-4,16-dithia-7,13-diazacyclooctadecane
CID 11770870

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,13-dithia-7,10-diazacyclopentadecane?
The IUPAC name of 1-oxa-4,13-dithia-7,10-diazacyclopentadecane (CID 15321739) is 1-oxa-4,13-dithia-7,10-diazacyclopentadecane.
What is the SMILES notation for 1-oxa-4,13-dithia-7,10-diazacyclopentadecane?
The canonical SMILES for 1-oxa-4,13-dithia-7,10-diazacyclopentadecane is C1CNCCSCCOCCSCCN1.
What is the InChIKey of 1-oxa-4,13-dithia-7,10-diazacyclopentadecane?
The InChIKey is MAHUEQKZGHKBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS2/c1-2-12-4-8-15-10-6-13-5-9-14-7-3-11-1/h11-12H,1-10H2.
What are the key properties of 1-oxa-4,13-dithia-7,10-diazacyclopentadecane?
1-oxa-4,13-dithia-7,10-diazacyclopentadecane has a molecular weight of 250.43 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,13-dithia-7,10-diazacyclopentadecane is sourced from PubChem (CID 15321739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).