1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea

C13H24N2OS — CID 113360608

IUPAC1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea
SMILESCOC1(CNC(=S)NC2CCCCC2)CCC1
InChIInChI=1S/C13H24N2OS/c1-16-13(8-5-9-13)10-14-12(17)15-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H2,14,15,17)
InChIKeyADFLRDMJDQVATO-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.35
Rot. Bonds4

About 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea

1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea (PubChem CID 113360608) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea
PubChem CID113360608
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea
SMILESCOC1(CNC(=S)NC2CCCCC2)CCC1
InChIInChI=1S/C13H24N2OS/c1-16-13(8-5-9-13)10-14-12(17)15-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H2,14,15,17)
InChIKeyADFLRDMJDQVATO-UHFFFAOYSA-N
XLogP2.35
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.35
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-Cyclohexyl-3-(2-methoxyethyl)thiourea
CID 3923011
1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 7941517
1-cyclohexyl-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 7941519
1-Cyclohexyl-3-(1-methoxypropan-2-yl)thiourea
CID 24423146
1-Cyclohexyl-3-(2-methoxypropyl)thiourea
CID 102697389
1-Cyclohexyl-3-(1-ethoxy-3-methylbutan-2-yl)thiourea
CID 103207139
1-[(1-Methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 103975324
1-Butyl-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 103975326
1-[(1-Methoxycyclobutyl)methyl]-3-(2-methylpropyl)thiourea
CID 103975327
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea (CID 113360608) is 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea is COC1(CNC(=S)NC2CCCCC2)CCC1.
What is the InChIKey of 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
The InChIKey is ADFLRDMJDQVATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-16-13(8-5-9-13)10-14-12(17)15-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea has a molecular weight of 256.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea is sourced from PubChem (CID 113360608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).