1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea

C10H20N2OS — CID 103975333

IUPAC1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea
SMILESCOC1(CNC(=S)NC(C)C)CCC1
InChIInChI=1S/C10H20N2OS/c1-8(2)12-9(14)11-7-10(13-3)5-4-6-10/h8H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyZRLFCPVXDNUSRQ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.43
Rot. Bonds4

About 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea

1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea (PubChem CID 103975333) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea
PubChem CID103975333
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea
SMILESCOC1(CNC(=S)NC(C)C)CCC1
InChIInChI=1S/C10H20N2OS/c1-8(2)12-9(14)11-7-10(13-3)5-4-6-10/h8H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyZRLFCPVXDNUSRQ-UHFFFAOYSA-N
XLogP1.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea?
The IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea (CID 103975333) is 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea.
What is the SMILES notation for 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea?
The canonical SMILES for 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea is COC1(CNC(=S)NC(C)C)CCC1.
What is the InChIKey of 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea?
The InChIKey is ZRLFCPVXDNUSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(2)12-9(14)11-7-10(13-3)5-4-6-10/h8H,4-7H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea?
1-[(1-methoxycyclobutyl)methyl]-3-propan-2-ylthiourea has a molecular weight of 216.35 g/mol, XLogP of 1.43, 4 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-propan-2-ylthiourea is sourced from PubChem (CID 103975333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).