[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea

C11H16N2S — CID 98083241

IUPAC[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
SMILESNC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21
InChIInChI=1S/C11H16N2S/c12-11(14)13-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2,(H3,12,13,14)/t6-,7+,8+,9+,10-/m1/s1
InChIKeyDHWGVLNGJNHMLY-SQQIUAQRSA-N
MW208.33 g/mol
LogP1.42
Rot. Bonds1

About [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea

[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea (PubChem CID 98083241) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea.

Molecular Properties

Compound Name[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
PubChem CID98083241
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
SMILESNC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21
InChIInChI=1S/C11H16N2S/c12-11(14)13-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2,(H3,12,13,14)/t6-,7+,8+,9+,10-/m1/s1
InChIKeyDHWGVLNGJNHMLY-SQQIUAQRSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-tricyclo[5.2.1.02,6]dec-4-enylthiourea
CID 2803167
1-amino-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
CID 98080249
1-(4-propan-2-ylphenyl)-3-[(1S,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
CID 98080246
1-(8-tricyclo[5.2.1.02,6]dec-4-enyl)-3-(3,3,5-trimethylcyclohexyl)thiourea
CID 2803579
1-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]thiourea
CID 124836687
1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(1S,2S,6R,7R,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
CID 136854289
1-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea
CID 3003888
1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea
CID 137240604
5-nitro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]-2,3-dihydroindole-1-carbothioamide
CID 124837208
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea
CID 135520585
1-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-[(1S,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
CID 136766661
1-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-[(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
CID 136897146

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea?
The IUPAC name of [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea (CID 98083241) is [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea.
What is the SMILES notation for [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea?
The canonical SMILES for [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea is NC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21.
What is the InChIKey of [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea?
The InChIKey is DHWGVLNGJNHMLY-SQQIUAQRSA-N. The full InChI is InChI=1S/C11H16N2S/c12-11(14)13-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2,(H3,12,13,14)/t6-,7+,8+,9+,10-/m1/s1.
What are the key properties of [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea?
[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea has a molecular weight of 208.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea is sourced from PubChem (CID 98083241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).