[(1R,2R)-2-phenylcyclopentyl]thiourea

C12H16N2S — CID 54152607

IUPAC[(1R,2R)-2-phenylcyclopentyl]thiourea
SMILESNC(=S)N[C@@H]1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H16N2S/c13-12(15)14-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H3,13,14,15)/t10-,11-/m1/s1
InChIKeyOITWGAXKGWYLKN-GHMZBOCLSA-N
MW220.34 g/mol
LogP2.16
Rot. Bonds2

About [(1R,2R)-2-phenylcyclopentyl]thiourea

[(1R,2R)-2-phenylcyclopentyl]thiourea (PubChem CID 54152607) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is [(1R,2R)-2-phenylcyclopentyl]thiourea.

Molecular Properties

Compound Name[(1R,2R)-2-phenylcyclopentyl]thiourea
PubChem CID54152607
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name[(1R,2R)-2-phenylcyclopentyl]thiourea
SMILESNC(=S)N[C@@H]1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H16N2S/c13-12(15)14-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H3,13,14,15)/t10-,11-/m1/s1
InChIKeyOITWGAXKGWYLKN-GHMZBOCLSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-phenylcyclohexyl]urea
CID 141176309
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
1-amino-N-(2-phenylcyclopentyl)cyclopropane-1-carboxamide
CID 119783047
2-(4-aminophenyl)-N-(2-phenylcyclopentyl)acetamide;hydrochloride
CID 119783054
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
N-(2-phenylcyclopentyl)piperidine-3-carboxamide;hydrochloride
CID 119323289
3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119783067
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
2-(cyclopropylmethylamino)-N-(2-phenylcyclopentyl)acetamide
CID 119783077
4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001828

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-phenylcyclopentyl]thiourea?
The IUPAC name of [(1R,2R)-2-phenylcyclopentyl]thiourea (CID 54152607) is [(1R,2R)-2-phenylcyclopentyl]thiourea.
What is the SMILES notation for [(1R,2R)-2-phenylcyclopentyl]thiourea?
The canonical SMILES for [(1R,2R)-2-phenylcyclopentyl]thiourea is NC(=S)N[C@@H]1CCC[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2R)-2-phenylcyclopentyl]thiourea?
The InChIKey is OITWGAXKGWYLKN-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H16N2S/c13-12(15)14-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H3,13,14,15)/t10-,11-/m1/s1.
What are the key properties of [(1R,2R)-2-phenylcyclopentyl]thiourea?
[(1R,2R)-2-phenylcyclopentyl]thiourea has a molecular weight of 220.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-phenylcyclopentyl]thiourea is sourced from PubChem (CID 54152607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).