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

C11H22N2OS — CID 103975327

IUPAC1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea
SMILESCOC1(CNC(=S)NCC(C)C)CCC1
InChIInChI=1S/C11H22N2OS/c1-9(2)7-12-10(15)13-8-11(14-3)5-4-6-11/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyMCOATYJQSBUMRR-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.68
Rot. Bonds5

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

1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea (PubChem CID 103975327) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea
PubChem CID103975327
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea
SMILESCOC1(CNC(=S)NCC(C)C)CCC1
InChIInChI=1S/C11H22N2OS/c1-9(2)7-12-10(15)13-8-11(14-3)5-4-6-11/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyMCOATYJQSBUMRR-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Methoxycyclobutyl)methylthiourea
CID 105839791
1-(2-Methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
1-(2-Methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea
CID 103734950
1-[(1-Methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 103975324
1-Butyl-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 103975326
1-Cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 103975328
1-Ethyl-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 103975329
1-[(1-Methoxycyclobutyl)methyl]-3-propylthiourea
CID 103975330
1-[(1-Methoxycyclobutyl)methyl]-3-(3-methoxypropyl)thiourea
CID 103975332
1-[(1-Methoxycyclobutyl)methyl]-3-propan-2-ylthiourea
CID 103975333
1-[(1-Methoxycyclobutyl)methyl]-3-(2-methoxyethyl)thiourea
CID 103975334
1-(3-Ethoxypropyl)-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 103975335

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea (CID 103975327) is 1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea is COC1(CNC(=S)NCC(C)C)CCC1.
What is the InChIKey of 1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea?
The InChIKey is MCOATYJQSBUMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(2)7-12-10(15)13-8-11(14-3)5-4-6-11/h9H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea?
1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea has a molecular weight of 230.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 103975327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).