1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea

C10H20N2OS — CID 103742080

IUPAC1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
SMILESCCNC(=S)NC1CC(OC)C1(C)C
InChIInChI=1S/C10H20N2OS/c1-5-11-9(14)12-7-6-8(13-4)10(7,2)3/h7-8H,5-6H2,1-4H3,(H2,11,12,14)
InChIKeyUSLOWNOMNVIYTB-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.28
Rot. Bonds3

About 1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea

1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea (PubChem CID 103742080) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
PubChem CID103742080
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
SMILESCCNC(=S)NC1CC(OC)C1(C)C
InChIInChI=1S/C10H20N2OS/c1-5-11-9(14)12-7-6-8(13-4)10(7,2)3/h7-8H,5-6H2,1-4H3,(H2,11,12,14)
InChIKeyUSLOWNOMNVIYTB-UHFFFAOYSA-N
XLogP1.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
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-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea?
The IUPAC name of 1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea (CID 103742080) is 1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea?
The canonical SMILES for 1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea is CCNC(=S)NC1CC(OC)C1(C)C.
What is the InChIKey of 1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea?
The InChIKey is USLOWNOMNVIYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-5-11-9(14)12-7-6-8(13-4)10(7,2)3/h7-8H,5-6H2,1-4H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea?
1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea has a molecular weight of 216.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea is sourced from PubChem (CID 103742080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).