1-(3-methoxycyclobutyl)-3-methylthiourea

C7H14N2OS — CID 104587614

IUPAC1-(3-methoxycyclobutyl)-3-methylthiourea
SMILESCNC(=S)NC1CC(OC)C1
InChIInChI=1S/C7H14N2OS/c1-8-7(11)9-5-3-6(4-5)10-2/h5-6H,3-4H2,1-2H3,(H2,8,9,11)
InChIKeyHCSCFMSDJVSFBF-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.26
Rot. Bonds2

About 1-(3-methoxycyclobutyl)-3-methylthiourea

1-(3-methoxycyclobutyl)-3-methylthiourea (PubChem CID 104587614) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-(3-methoxycyclobutyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(3-methoxycyclobutyl)-3-methylthiourea
PubChem CID104587614
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-(3-methoxycyclobutyl)-3-methylthiourea
SMILESCNC(=S)NC1CC(OC)C1
InChIInChI=1S/C7H14N2OS/c1-8-7(11)9-5-3-6(4-5)10-2/h5-6H,3-4H2,1-2H3,(H2,8,9,11)
InChIKeyHCSCFMSDJVSFBF-UHFFFAOYSA-N
XLogP0.26
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.26
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

N-(3-methoxycyclobutyl)ethanethioamide
CID 142576151
3-(3-methoxycyclobutyl)-1,1-dimethylurea
CID 104581744
(2S)-2-hydroxy-N-(3-methoxycyclobutyl)propanamide
CID 131069206
N-(3-methoxycyclobutyl)-2,2-dimethylpropanamide
CID 104578372
(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine
CID 143150213
(E)-N-(3-methoxycyclobutyl)but-2-enamide
CID 104578454
N-(3-methoxycyclobutyl)-4-oxopentanamide
CID 104600930
N,3-dimethoxycyclobutan-1-amine
CID 106821578
1-(7-bicyclo[4.1.0]heptanyl)-3-methylthiourea
CID 131150502
1-[(3S,4R)-4-methoxyoxolan-3-yl]-3-methylthiourea
CID 130676291
1,3,5-trimethoxycyclohexane
CID 547415
1-methyl-3-(oxolan-3-yl)thiourea
CID 115760835

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclobutyl)-3-methylthiourea?
The IUPAC name of 1-(3-methoxycyclobutyl)-3-methylthiourea (CID 104587614) is 1-(3-methoxycyclobutyl)-3-methylthiourea.
What is the SMILES notation for 1-(3-methoxycyclobutyl)-3-methylthiourea?
The canonical SMILES for 1-(3-methoxycyclobutyl)-3-methylthiourea is CNC(=S)NC1CC(OC)C1.
What is the InChIKey of 1-(3-methoxycyclobutyl)-3-methylthiourea?
The InChIKey is HCSCFMSDJVSFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-8-7(11)9-5-3-6(4-5)10-2/h5-6H,3-4H2,1-2H3,(H2,8,9,11).
What are the key properties of 1-(3-methoxycyclobutyl)-3-methylthiourea?
1-(3-methoxycyclobutyl)-3-methylthiourea has a molecular weight of 174.27 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclobutyl)-3-methylthiourea is sourced from PubChem (CID 104587614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).