3-cyclohexylpyrrolidine;methanethioamide

C11H22N2S — CID 161183886

IUPAC3-cyclohexylpyrrolidine;methanethioamide
SMILESC1CCC(C2CCNC2)CC1.NC=S
InChIInChI=1S/C10H19N.CH3NS/c1-2-4-9(5-3-1)10-6-7-11-8-10;2-1-3/h9-11H,1-8H2;1H,(H2,2,3)
InChIKeyUSVHOTOJURYDEG-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.08
Rot. Bonds1

About 3-cyclohexylpyrrolidine;methanethioamide

3-cyclohexylpyrrolidine;methanethioamide (PubChem CID 161183886) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-cyclohexylpyrrolidine;methanethioamide.

Molecular Properties

Compound Name3-cyclohexylpyrrolidine;methanethioamide
PubChem CID161183886
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-cyclohexylpyrrolidine;methanethioamide
SMILESC1CCC(C2CCNC2)CC1.NC=S
InChIInChI=1S/C10H19N.CH3NS/c1-2-4-9(5-3-1)10-6-7-11-8-10;2-1-3/h9-11H,1-8H2;1H,(H2,2,3)
InChIKeyUSVHOTOJURYDEG-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpyrrolidine;methanethioamide?
The IUPAC name of 3-cyclohexylpyrrolidine;methanethioamide (CID 161183886) is 3-cyclohexylpyrrolidine;methanethioamide.
What is the SMILES notation for 3-cyclohexylpyrrolidine;methanethioamide?
The canonical SMILES for 3-cyclohexylpyrrolidine;methanethioamide is C1CCC(C2CCNC2)CC1.NC=S.
What is the InChIKey of 3-cyclohexylpyrrolidine;methanethioamide?
The InChIKey is USVHOTOJURYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.CH3NS/c1-2-4-9(5-3-1)10-6-7-11-8-10;2-1-3/h9-11H,1-8H2;1H,(H2,2,3).
What are the key properties of 3-cyclohexylpyrrolidine;methanethioamide?
3-cyclohexylpyrrolidine;methanethioamide has a molecular weight of 214.38 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpyrrolidine;methanethioamide is sourced from PubChem (CID 161183886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).