1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea

C13H22N2S — CID 102058374

IUPAC1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea
SMILESCN(C)C(=S)N[C@@H]1C[C@H]2C[C@@H]1C1CCCC12
InChIInChI=1S/C13H22N2S/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9?,10?,11-,12-/m1/s1
InChIKeyHNKLSLNEIRIASJ-URVOOWSZSA-N
MW238.40 g/mol
LogP2.25
Rot. Bonds1

About 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea

1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea (PubChem CID 102058374) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea
PubChem CID102058374
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea
SMILESCN(C)C(=S)N[C@@H]1C[C@H]2C[C@@H]1C1CCCC12
InChIInChI=1S/C13H22N2S/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9?,10?,11-,12-/m1/s1
InChIKeyHNKLSLNEIRIASJ-URVOOWSZSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43700055
3-amino-2,2,3-trimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 65264411
N-(2-methylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392260
2-amino-2-ethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 79809442
cis-(1S,2R)-2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114091906
2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78858492
(3R)-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-3-carboxamide
CID 81124941
1-(4-hydroxycyclohexyl)-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 110892558
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
4-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
CID 63121681
2-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 43710212

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea?
The IUPAC name of 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea (CID 102058374) is 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea.
What is the SMILES notation for 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea?
The canonical SMILES for 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea is CN(C)C(=S)N[C@@H]1C[C@H]2C[C@@H]1C1CCCC12.
What is the InChIKey of 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea?
The InChIKey is HNKLSLNEIRIASJ-URVOOWSZSA-N. The full InChI is InChI=1S/C13H22N2S/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9?,10?,11-,12-/m1/s1.
What are the key properties of 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea?
1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea has a molecular weight of 238.40 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(1R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea is sourced from PubChem (CID 102058374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).