ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol

C10H24N2S — CID 90687561

IUPACethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol
SMILESCC.CCN(C)CC1CC(S)CN1
InChIInChI=1S/C8H18N2S.C2H6/c1-3-10(2)6-7-4-8(11)5-9-7;1-2/h7-9,11H,3-6H2,1-2H3;1-2H3
InChIKeyUYPMRBHQEMEGPI-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.62
Rot. Bonds3

About ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol

ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol (PubChem CID 90687561) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol.

Molecular Properties

Compound Nameethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol
PubChem CID90687561
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC Nameethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol
SMILESCC.CCN(C)CC1CC(S)CN1
InChIInChI=1S/C8H18N2S.C2H6/c1-3-10(2)6-7-4-8(11)5-9-7;1-2/h7-9,11H,3-6H2,1-2H3;1-2H3
InChIKeyUYPMRBHQEMEGPI-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
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;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol?
The IUPAC name of ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol (CID 90687561) is ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol.
What is the SMILES notation for ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol?
The canonical SMILES for ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol is CC.CCN(C)CC1CC(S)CN1.
What is the InChIKey of ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol?
The InChIKey is UYPMRBHQEMEGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S.C2H6/c1-3-10(2)6-7-4-8(11)5-9-7;1-2/h7-9,11H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol?
ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol has a molecular weight of 204.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[[ethyl(methyl)amino]methyl]pyrrolidine-3-thiol is sourced from PubChem (CID 90687561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).