1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea

C10H20N2O2S — CID 103975334

IUPAC1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCC1(OC)CCC1
InChIInChI=1S/C10H20N2O2S/c1-13-7-6-11-9(15)12-8-10(14-2)4-3-5-10/h3-8H2,1-2H3,(H2,11,12,15)
InChIKeyAXHNTDPKCOPFFQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.67
Rot. Bonds6

About 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea

1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea (PubChem CID 103975334) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea
PubChem CID103975334
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCC1(OC)CCC1
InChIInChI=1S/C10H20N2O2S/c1-13-7-6-11-9(15)12-8-10(14-2)4-3-5-10/h3-8H2,1-2H3,(H2,11,12,15)
InChIKeyAXHNTDPKCOPFFQ-UHFFFAOYSA-N
XLogP0.67
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea (CID 103975334) is 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea is COCCNC(=S)NCC1(OC)CCC1.
What is the InChIKey of 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea?
The InChIKey is AXHNTDPKCOPFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-13-7-6-11-9(15)12-8-10(14-2)4-3-5-10/h3-8H2,1-2H3,(H2,11,12,15).
What are the key properties of 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea?
1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea has a molecular weight of 232.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 103975334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).