N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine

C10H19NO5S2 — CID 46398595

IUPACN-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCOC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H19NO5S2/c12-17(13)5-1-9(7-17)11-3-4-16-10-2-6-18(14,15)8-10/h9-11H,1-8H2
InChIKeyCQXSSBSHSKLFAC-UHFFFAOYSA-N
MW297.40 g/mol
LogP-1.03
Rot. Bonds5

About N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine

N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine (PubChem CID 46398595) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
PubChem CID46398595
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCOC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H19NO5S2/c12-17(13)5-1-9(7-17)11-3-4-16-10-2-6-18(14,15)8-10/h9-11H,1-8H2
InChIKeyCQXSSBSHSKLFAC-UHFFFAOYSA-N
XLogP-1.03
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 64728846
1,1-dioxo-N-(2-prop-2-enoxyethyl)thiolan-3-amine
CID 62572213
2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine
CID 62336115
(3S)-3-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]oxyethoxy]ethoxy]thiolane 1,1-dioxide
CID 40549365
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
(3R)-3-propoxythiolane 1,1-dioxide
CID 51410713
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
(3S)-3-hexadecoxythiolane 1,1-dioxide
CID 98117286

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine (CID 46398595) is N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCCOC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is CQXSSBSHSKLFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c12-17(13)5-1-9(7-17)11-3-4-16-10-2-6-18(14,15)8-10/h9-11H,1-8H2.
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine?
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 297.40 g/mol, XLogP of -1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 46398595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).