1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea

C11H22N2O2S — CID 103975324

IUPAC1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
SMILESCOCC(C)NC(=S)NCC1(OC)CCC1
InChIInChI=1S/C11H22N2O2S/c1-9(7-14-2)13-10(16)12-8-11(15-3)5-4-6-11/h9H,4-8H2,1-3H3,(H2,12,13,16)
InChIKeyHVCIIVLWMHMCQX-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.05
Rot. Bonds6

About 1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea

1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea (PubChem CID 103975324) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea.

Molecular Properties

Compound Name1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
PubChem CID103975324
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
SMILESCOCC(C)NC(=S)NCC1(OC)CCC1
InChIInChI=1S/C11H22N2O2S/c1-9(7-14-2)13-10(16)12-8-11(15-3)5-4-6-11/h9H,4-8H2,1-3H3,(H2,12,13,16)
InChIKeyHVCIIVLWMHMCQX-UHFFFAOYSA-N
XLogP1.05
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(1-methylcyclobutyl)methyl]thiourea
CID 103734959
1-[(1-Ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 103740879
1-(3-Methoxy-2,2-dimethylcyclobutyl)-3-(2-methoxyethyl)thiourea
CID 103742072
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-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-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
The IUPAC name of 1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea (CID 103975324) is 1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea.
What is the SMILES notation for 1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
The canonical SMILES for 1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea is COCC(C)NC(=S)NCC1(OC)CCC1.
What is the InChIKey of 1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
The InChIKey is HVCIIVLWMHMCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(7-14-2)13-10(16)12-8-11(15-3)5-4-6-11/h9H,4-8H2,1-3H3,(H2,12,13,16).
What are the key properties of 1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea has a molecular weight of 246.38 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea is sourced from PubChem (CID 103975324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).