1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea

C10H19N3S — CID 130965418

IUPAC1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea
SMILESCN(C(N)=S)C1CC2CCC(C1)N2C
InChIInChI=1S/C10H19N3S/c1-12-7-3-4-8(12)6-9(5-7)13(2)10(11)14/h7-9H,3-6H2,1-2H3,(H2,11,14)
InChIKeyMSKIIZMFDMADLM-UHFFFAOYSA-N
MW213.35 g/mol
LogP0.79
Rot. Bonds1

About 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea

1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea (PubChem CID 130965418) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea.

Molecular Properties

Compound Name1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea
PubChem CID130965418
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea
SMILESCN(C(N)=S)C1CC2CCC(C1)N2C
InChIInChI=1S/C10H19N3S/c1-12-7-3-4-8(12)6-9(5-7)13(2)10(11)14/h7-9H,3-6H2,1-2H3,(H2,11,14)
InChIKeyMSKIIZMFDMADLM-UHFFFAOYSA-N
XLogP0.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea?
The IUPAC name of 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea (CID 130965418) is 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea.
What is the SMILES notation for 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea?
The canonical SMILES for 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea is CN(C(N)=S)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea?
The InChIKey is MSKIIZMFDMADLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-12-7-3-4-8(12)6-9(5-7)13(2)10(11)14/h7-9H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea?
1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea has a molecular weight of 213.35 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiourea is sourced from PubChem (CID 130965418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).