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

C10H18N2OS — CID 103975328

IUPAC1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea
SMILESCOC1(CNC(=S)NC2CC2)CCC1
InChIInChI=1S/C10H18N2OS/c1-13-10(5-2-6-10)7-11-9(14)12-8-3-4-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyGJEYBYZSDRAWLD-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.18
Rot. Bonds4

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

1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea (PubChem CID 103975328) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea
PubChem CID103975328
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea
SMILESCOC1(CNC(=S)NC2CC2)CCC1
InChIInChI=1S/C10H18N2OS/c1-13-10(5-2-6-10)7-11-9(14)12-8-3-4-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyGJEYBYZSDRAWLD-UHFFFAOYSA-N
XLogP1.18
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.18
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-(1-Methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea
CID 103710008
1-(2-Methoxyethyl)-3-(2-propylcyclopropyl)thiourea
CID 103710010
1-(1-Methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea
CID 103734959
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-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea (CID 103975328) is 1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea is COC1(CNC(=S)NC2CC2)CCC1.
What is the InChIKey of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
The InChIKey is GJEYBYZSDRAWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-13-10(5-2-6-10)7-11-9(14)12-8-3-4-8/h8H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea has a molecular weight of 214.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-methoxycyclobutyl)methyl]thiourea is sourced from PubChem (CID 103975328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).