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

C11H22N2OS — CID 103975326

IUPAC1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea
SMILESCCCCNC(=S)NCC1(OC)CCC1
InChIInChI=1S/C11H22N2OS/c1-3-4-8-12-10(15)13-9-11(14-2)6-5-7-11/h3-9H2,1-2H3,(H2,12,13,15)
InChIKeyLYDLQBRRTALHOT-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.82
Rot. Bonds6

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

1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea (PubChem CID 103975326) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea.

Molecular Properties

Compound Name1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea
PubChem CID103975326
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea
SMILESCCCCNC(=S)NCC1(OC)CCC1
InChIInChI=1S/C11H22N2OS/c1-3-4-8-12-10(15)13-9-11(14-2)6-5-7-11/h3-9H2,1-2H3,(H2,12,13,15)
InChIKeyLYDLQBRRTALHOT-UHFFFAOYSA-N
XLogP1.82
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(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
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-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
The IUPAC name of 1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea (CID 103975326) is 1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea.
What is the SMILES notation for 1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
The canonical SMILES for 1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea is CCCCNC(=S)NCC1(OC)CCC1.
What is the InChIKey of 1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
The InChIKey is LYDLQBRRTALHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-4-8-12-10(15)13-9-11(14-2)6-5-7-11/h3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea?
1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea has a molecular weight of 230.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(1-methoxycyclobutyl)methyl]thiourea is sourced from PubChem (CID 103975326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).