N-cyclohexylpyrrolidine-1-carbothioamide

C11H20N2S — CID 797677

IUPACN-cyclohexylpyrrolidine-1-carbothioamide
SMILESS=C(NC1CCCCC1)N1CCCC1
InChIInChI=1S/C11H20N2S/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,14)
InChIKeyFDXJZLFRULSTDC-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.29
Rot. Bonds1

About N-cyclohexylpyrrolidine-1-carbothioamide

N-cyclohexylpyrrolidine-1-carbothioamide (PubChem CID 797677) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-cyclohexylpyrrolidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexylpyrrolidine-1-carbothioamide
PubChem CID797677
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-cyclohexylpyrrolidine-1-carbothioamide
SMILESS=C(NC1CCCCC1)N1CCCC1
InChIInChI=1S/C11H20N2S/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,14)
InChIKeyFDXJZLFRULSTDC-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-cyclohexylpyrrolidine-1-carbothioamide?
The IUPAC name of N-cyclohexylpyrrolidine-1-carbothioamide (CID 797677) is N-cyclohexylpyrrolidine-1-carbothioamide.
What is the SMILES notation for N-cyclohexylpyrrolidine-1-carbothioamide?
The canonical SMILES for N-cyclohexylpyrrolidine-1-carbothioamide is S=C(NC1CCCCC1)N1CCCC1.
What is the InChIKey of N-cyclohexylpyrrolidine-1-carbothioamide?
The InChIKey is FDXJZLFRULSTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,14).
What are the key properties of N-cyclohexylpyrrolidine-1-carbothioamide?
N-cyclohexylpyrrolidine-1-carbothioamide has a molecular weight of 212.36 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpyrrolidine-1-carbothioamide is sourced from PubChem (CID 797677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).