N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide

C10H20N4S2 — CID 57074986

IUPACN-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide
SMILESCCCN1CCCN1C(=S)NC(=S)N(C)C
InChIInChI=1S/C10H20N4S2/c1-4-6-13-7-5-8-14(13)10(16)11-9(15)12(2)3/h4-8H2,1-3H3,(H,11,15,16)
InChIKeyLBLBLFKETHPWBU-UHFFFAOYSA-N
MW260.43 g/mol
LogP1.04
Rot. Bonds2

About N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide

N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide (PubChem CID 57074986) has the molecular formula C10H20N4S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide.

Molecular Properties

Compound NameN-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide
PubChem CID57074986
Molecular FormulaC10H20N4S2
Molecular Weight260.43 g/mol
Exact Mass260.11
IUPAC NameN-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide
SMILESCCCN1CCCN1C(=S)NC(=S)N(C)C
InChIInChI=1S/C10H20N4S2/c1-4-6-13-7-5-8-14(13)10(16)11-9(15)12(2)3/h4-8H2,1-3H3,(H,11,15,16)
InChIKeyLBLBLFKETHPWBU-UHFFFAOYSA-N
XLogP1.04
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide?
The IUPAC name of N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide (CID 57074986) is N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide.
What is the SMILES notation for N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide?
The canonical SMILES for N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide is CCCN1CCCN1C(=S)NC(=S)N(C)C.
What is the InChIKey of N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide?
The InChIKey is LBLBLFKETHPWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S2/c1-4-6-13-7-5-8-14(13)10(16)11-9(15)12(2)3/h4-8H2,1-3H3,(H,11,15,16).
What are the key properties of N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide?
N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide has a molecular weight of 260.43 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide is sourced from PubChem (CID 57074986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).