1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea

C15H26N2S — CID 16553937

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NC1CC2CCC1C2
InChIInChI=1S/C15H26N2S/c1-10-4-2-3-5-13(10)16-15(18)17-14-9-11-6-7-12(14)8-11/h10-14H,2-9H2,1H3,(H2,16,17,18)
InChIKeyGCZXVWPFLONMEV-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.22
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea

1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea (PubChem CID 16553937) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea
PubChem CID16553937
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NC1CC2CCC1C2
InChIInChI=1S/C15H26N2S/c1-10-4-2-3-5-13(10)16-15(18)17-14-9-11-6-7-12(14)8-11/h10-14H,2-9H2,1H3,(H2,16,17,18)
InChIKeyGCZXVWPFLONMEV-UHFFFAOYSA-N
XLogP3.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.22
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

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]thiourea
CID 124772547
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-methylthiourea
CID 98080408
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98083131
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98083134
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]thiourea
CID 98387776
1-acetamido-3-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]thiourea
CID 21174598
1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
CID 43384781
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[[2-[2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 98393025
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-piperidin-1-ylthiourea
CID 98752058
1-(2-bicyclo[2.2.1]heptanyl)-3-piperidin-1-ylthiourea
CID 16553925
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2S)-2-hydroxypropyl]thiourea
CID 11859375
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2R)-2-hydroxypropyl]thiourea
CID 98387964

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea (CID 16553937) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea is CC1CCCCC1NC(=S)NC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea?
The InChIKey is GCZXVWPFLONMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-10-4-2-3-5-13(10)16-15(18)17-14-9-11-6-7-12(14)8-11/h10-14H,2-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea?
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea has a molecular weight of 266.45 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea is sourced from PubChem (CID 16553937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).