ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine

C9H23N3OS — CID 168942626

IUPACethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine
SMILESCC.CCC1(CN(C)C)CNS(=O)N1
InChIInChI=1S/C7H17N3OS.C2H6/c1-4-7(6-10(2)3)5-8-12(11)9-7;1-2/h8-9H,4-6H2,1-3H3;1-2H3
InChIKeyUBUSQNCUMMNKRW-UHFFFAOYSA-N
MW221.37 g/mol
LogP0.49
Rot. Bonds3

About ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine

ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine (PubChem CID 168942626) has the molecular formula C9H23N3OS and a molecular weight of 221.37 g/mol. Its IUPAC name is ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Nameethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine
PubChem CID168942626
Molecular FormulaC9H23N3OS
Molecular Weight221.37 g/mol
Exact Mass221.16
IUPAC Nameethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine
SMILESCC.CCC1(CN(C)C)CNS(=O)N1
InChIInChI=1S/C7H17N3OS.C2H6/c1-4-7(6-10(2)3)5-8-12(11)9-7;1-2/h8-9H,4-6H2,1-3H3;1-2H3
InChIKeyUBUSQNCUMMNKRW-UHFFFAOYSA-N
XLogP0.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine (CID 168942626) is ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine is CC.CCC1(CN(C)C)CNS(=O)N1.
What is the InChIKey of ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is UBUSQNCUMMNKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3OS.C2H6/c1-4-7(6-10(2)3)5-8-12(11)9-7;1-2/h8-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine?
ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 221.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethyl-1-oxo-1,2,5-thiadiazolidin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 168942626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).