1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea

C10H20N2OS — CID 103975330

IUPAC1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCC1(OC)CCC1
InChIInChI=1S/C10H20N2OS/c1-3-7-11-9(14)12-8-10(13-2)5-4-6-10/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeyXSMRBGGJDZBNPY-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.43
Rot. Bonds5

About 1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea

1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea (PubChem CID 103975330) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea
PubChem CID103975330
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCC1(OC)CCC1
InChIInChI=1S/C10H20N2OS/c1-3-7-11-9(14)12-8-10(13-2)5-4-6-10/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeyXSMRBGGJDZBNPY-UHFFFAOYSA-N
XLogP1.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.43
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-[(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-[(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-(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
1-[(1-Methoxycyclobutyl)methyl]-3-methylthiourea
CID 103975336

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea?
The IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea (CID 103975330) is 1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea.
What is the SMILES notation for 1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea?
The canonical SMILES for 1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea is CCCNC(=S)NCC1(OC)CCC1.
What is the InChIKey of 1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea?
The InChIKey is XSMRBGGJDZBNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-7-11-9(14)12-8-10(13-2)5-4-6-10/h3-8H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea?
1-[(1-methoxycyclobutyl)methyl]-3-propylthiourea has a molecular weight of 216.35 g/mol, XLogP of 1.43, 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-propylthiourea is sourced from PubChem (CID 103975330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).