5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol

C10H22N2S — CID 22986112

IUPAC5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol
SMILESCC(C)CN(C)CC1CC(S)CN1
InChIInChI=1S/C10H22N2S/c1-8(2)6-12(3)7-9-4-10(13)5-11-9/h8-11,13H,4-7H2,1-3H3
InChIKeyDUQIHCOWYVIFRD-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.23
Rot. Bonds4

About 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol

5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol (PubChem CID 22986112) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol.

Molecular Properties

Compound Name5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol
PubChem CID22986112
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol
SMILESCC(C)CN(C)CC1CC(S)CN1
InChIInChI=1S/C10H22N2S/c1-8(2)6-12(3)7-9-4-10(13)5-11-9/h8-11,13H,4-7H2,1-3H3
InChIKeyDUQIHCOWYVIFRD-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.23
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 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol?
The IUPAC name of 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol (CID 22986112) is 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol.
What is the SMILES notation for 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol?
The canonical SMILES for 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol is CC(C)CN(C)CC1CC(S)CN1.
What is the InChIKey of 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol?
The InChIKey is DUQIHCOWYVIFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-8(2)6-12(3)7-9-4-10(13)5-11-9/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol?
5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol has a molecular weight of 202.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol is sourced from PubChem (CID 22986112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).