ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine

C5H17NO2S — CID 144965954

IUPACethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine
SMILESCC.CCS(O)(O)NC
InChIInChI=1S/C3H11NO2S.C2H6/c1-3-7(5,6)4-2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyBQIOHEVRDPREOZ-UHFFFAOYSA-N
MW155.26 g/mol
LogP1.92
Rot. Bonds2

About ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine

ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine (PubChem CID 144965954) has the molecular formula C5H17NO2S and a molecular weight of 155.26 g/mol. Its IUPAC name is ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine.

Molecular Properties

Compound Nameethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine
PubChem CID144965954
Molecular FormulaC5H17NO2S
Molecular Weight155.26 g/mol
Exact Mass155.10
IUPAC Nameethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine
SMILESCC.CCS(O)(O)NC
InChIInChI=1S/C3H11NO2S.C2H6/c1-3-7(5,6)4-2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyBQIOHEVRDPREOZ-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine?
The IUPAC name of ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine (CID 144965954) is ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine.
What is the SMILES notation for ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine?
The canonical SMILES for ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine is CC.CCS(O)(O)NC.
What is the InChIKey of ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine?
The InChIKey is BQIOHEVRDPREOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO2S.C2H6/c1-3-7(5,6)4-2;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine?
ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine has a molecular weight of 155.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[ethyl(dihydroxy)-λ4-sulfanyl]methanamine is sourced from PubChem (CID 144965954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).