1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea

C14H20N2S — CID 19651854

IUPAC1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea
SMILESCC(CCc1ccccc1)NC(=S)NC1CC1
InChIInChI=1S/C14H20N2S/c1-11(15-14(17)16-13-9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,15,16,17)
InChIKeyLQLUHYPHZBWHQB-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.63
Rot. Bonds5

About 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea

1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea (PubChem CID 19651854) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea
PubChem CID19651854
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea
SMILESCC(CCc1ccccc1)NC(=S)NC1CC1
InChIInChI=1S/C14H20N2S/c1-11(15-14(17)16-13-9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,15,16,17)
InChIKeyLQLUHYPHZBWHQB-UHFFFAOYSA-N
XLogP2.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.63
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

N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
1-[(2R)-4-phenylbutan-2-yl]-3-prop-2-enylthiourea
CID 40600719
1-(2-fluorophenyl)-3-[(2S)-4-phenylbutan-2-yl]thiourea
CID 8668898
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
1-(3,5-dichlorophenyl)-3-(4-phenylbutan-2-yl)thiourea
CID 19651830
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
CID 104983243
1-(4-methoxyphenyl)-3-(4-phenylbutan-2-yl)thiourea
CID 19651816
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea (CID 19651854) is 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea is CC(CCc1ccccc1)NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea?
The InChIKey is LQLUHYPHZBWHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-11(15-14(17)16-13-9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea?
1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea has a molecular weight of 248.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-phenylbutan-2-yl)thiourea is sourced from PubChem (CID 19651854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).