N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide

C12H22N2O2S — CID 62955525

IUPACN-(2-carbamothioylcyclopentyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C12H22N2O2S/c1-2-7-16-8-6-11(15)14-10-5-3-4-9(10)12(13)17/h9-10H,2-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyQTPMVFKZZQMLLG-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.37
Rot. Bonds7

About N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide

N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide (PubChem CID 62955525) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-3-propoxypropanamide
PubChem CID62955525
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(2-carbamothioylcyclopentyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C12H22N2O2S/c1-2-7-16-8-6-11(15)14-10-5-3-4-9(10)12(13)17/h9-10H,2-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyQTPMVFKZZQMLLG-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide (CID 62955525) is N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide is CCCOCCC(=O)NC1CCCC1C(N)=S.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide?
The InChIKey is QTPMVFKZZQMLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-2-7-16-8-6-11(15)14-10-5-3-4-9(10)12(13)17/h9-10H,2-8H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide?
N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide has a molecular weight of 258.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide is sourced from PubChem (CID 62955525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).