1-cyclopentyl-1-ethylthiourea

C8H16N2S — CID 43541105

IUPAC1-cyclopentyl-1-ethylthiourea
SMILESCCN(C(N)=S)C1CCCC1
InChIInChI=1S/C8H16N2S/c1-2-10(8(9)11)7-5-3-4-6-7/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyRGXTWSLOMIEDLF-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.49
Rot. Bonds2

About 1-cyclopentyl-1-ethylthiourea

1-cyclopentyl-1-ethylthiourea (PubChem CID 43541105) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-cyclopentyl-1-ethylthiourea.

Molecular Properties

Compound Name1-cyclopentyl-1-ethylthiourea
PubChem CID43541105
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-cyclopentyl-1-ethylthiourea
SMILESCCN(C(N)=S)C1CCCC1
InChIInChI=1S/C8H16N2S/c1-2-10(8(9)11)7-5-3-4-6-7/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyRGXTWSLOMIEDLF-UHFFFAOYSA-N
XLogP1.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-cyclopentyl-N-ethylcyclopropane-1-carboxamide
CID 80589688
2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
CID 71893777
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
1-N,4-N-dicyclopentyl-1-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 55587581
2-amino-N-cyclohexyl-N-ethyl-2-methylpropanamide
CID 56831871
N-cyclopentyl-N-ethylcyclohexanecarboximidamide
CID 63175660
3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
CID 18769868
2-amino-N-cyclohexyl-N-ethylbutanamide
CID 43649420

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-ethylthiourea?
The IUPAC name of 1-cyclopentyl-1-ethylthiourea (CID 43541105) is 1-cyclopentyl-1-ethylthiourea.
What is the SMILES notation for 1-cyclopentyl-1-ethylthiourea?
The canonical SMILES for 1-cyclopentyl-1-ethylthiourea is CCN(C(N)=S)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-ethylthiourea?
The InChIKey is RGXTWSLOMIEDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-10(8(9)11)7-5-3-4-6-7/h7H,2-6H2,1H3,(H2,9,11).
What are the key properties of 1-cyclopentyl-1-ethylthiourea?
1-cyclopentyl-1-ethylthiourea has a molecular weight of 172.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-ethylthiourea is sourced from PubChem (CID 43541105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).