1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide

C13H24N2OS — CID 55037723

IUPAC1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C13H24N2OS/c1-3-9-15(10-4-2)12(16)13(11(14)17)7-5-6-8-13/h3-10H2,1-2H3,(H2,14,17)
InChIKeyRHYKAOJSVJYCCP-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.48
Rot. Bonds6

About 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide

1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide (PubChem CID 55037723) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide
PubChem CID55037723
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C13H24N2OS/c1-3-9-15(10-4-2)12(16)13(11(14)17)7-5-6-8-13/h3-10H2,1-2H3,(H2,14,17)
InChIKeyRHYKAOJSVJYCCP-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide (CID 55037723) is 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide is CCCN(CCC)C(=O)C1(C(N)=S)CCCC1.
What is the InChIKey of 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide?
The InChIKey is RHYKAOJSVJYCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-9-15(10-4-2)12(16)13(11(14)17)7-5-6-8-13/h3-10H2,1-2H3,(H2,14,17).
What are the key properties of 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide?
1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N,N-dipropylcyclopentane-1-carboxamide is sourced from PubChem (CID 55037723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).