ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine

C7H22N2S — CID 142251230

IUPACethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine
SMILESC.CC.SNC1CCNC1.[H][H]
InChIInChI=1S/C4H10N2S.C2H6.CH4.H2/c7-6-4-1-2-5-3-4;1-2;;/h4-7H,1-3H2;1-2H3;1H4;1H
InChIKeyOFCSTOACGPPWDS-UHFFFAOYSA-N
MW166.33 g/mol
LogP1.69
Rot. Bonds1

About ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine

ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine (PubChem CID 142251230) has the molecular formula C7H22N2S and a molecular weight of 166.33 g/mol. Its IUPAC name is ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine.

Molecular Properties

Compound Nameethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine
PubChem CID142251230
Molecular FormulaC7H22N2S
Molecular Weight166.33 g/mol
Exact Mass166.15
IUPAC Nameethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine
SMILESC.CC.SNC1CCNC1.[H][H]
InChIInChI=1S/C4H10N2S.C2H6.CH4.H2/c7-6-4-1-2-5-3-4;1-2;;/h4-7H,1-3H2;1-2H3;1H4;1H
InChIKeyOFCSTOACGPPWDS-UHFFFAOYSA-N
XLogP1.69
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.33
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine?
The IUPAC name of ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine (CID 142251230) is ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine.
What is the SMILES notation for ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine?
The canonical SMILES for ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine is C.CC.SNC1CCNC1.[H][H].
What is the InChIKey of ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine?
The InChIKey is OFCSTOACGPPWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S.C2H6.CH4.H2/c7-6-4-1-2-5-3-4;1-2;;/h4-7H,1-3H2;1-2H3;1H4;1H.
What are the key properties of ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine?
ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine has a molecular weight of 166.33 g/mol, XLogP of 1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine is sourced from PubChem (CID 142251230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).