1-cyclopentyl-3-(propanoylamino)thiourea

C9H17N3OS — CID 17372527

IUPAC1-cyclopentyl-3-(propanoylamino)thiourea
SMILESCCC(=O)NNC(=S)NC1CCCC1
InChIInChI=1S/C9H17N3OS/c1-2-8(13)11-12-9(14)10-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyZCKSNJRKDPJNKR-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.83
Rot. Bonds2

About 1-cyclopentyl-3-(propanoylamino)thiourea

1-cyclopentyl-3-(propanoylamino)thiourea (PubChem CID 17372527) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-(propanoylamino)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(propanoylamino)thiourea
PubChem CID17372527
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-cyclopentyl-3-(propanoylamino)thiourea
SMILESCCC(=O)NNC(=S)NC1CCCC1
InChIInChI=1S/C9H17N3OS/c1-2-8(13)11-12-9(14)10-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyZCKSNJRKDPJNKR-UHFFFAOYSA-N
XLogP0.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea
CID 88790723
ethyl N-(cyclohexylcarbamothioylamino)carbamate
CID 2743224
N-cyclododecylpropanamide
CID 2784600
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea
CID 24644179
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea
CID 872977
1-cyclohexyl-3-[[2-(4-methylphenyl)sulfonylacetyl]amino]thiourea
CID 4287638
2-(cyclopentylcarbamothioylamino)-N-methylacetamide
CID 116507386

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(propanoylamino)thiourea?
The IUPAC name of 1-cyclopentyl-3-(propanoylamino)thiourea (CID 17372527) is 1-cyclopentyl-3-(propanoylamino)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(propanoylamino)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(propanoylamino)thiourea is CCC(=O)NNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(propanoylamino)thiourea?
The InChIKey is ZCKSNJRKDPJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-2-8(13)11-12-9(14)10-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,11,13)(H2,10,12,14).
What are the key properties of 1-cyclopentyl-3-(propanoylamino)thiourea?
1-cyclopentyl-3-(propanoylamino)thiourea has a molecular weight of 215.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(propanoylamino)thiourea is sourced from PubChem (CID 17372527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).