1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea

C11H22N2OS — CID 115674490

IUPAC1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea
SMILESCOCCNC(=S)NC1C(C)(C)C1(C)C
InChIInChI=1S/C11H22N2OS/c1-10(2)8(11(10,3)4)13-9(15)12-6-7-14-5/h8H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyJNDNTQKHIJVISJ-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.53
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea

1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea (PubChem CID 115674490) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea
PubChem CID115674490
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea
SMILESCOCCNC(=S)NC1C(C)(C)C1(C)C
InChIInChI=1S/C11H22N2OS/c1-10(2)8(11(10,3)4)13-9(15)12-6-7-14-5/h8H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyJNDNTQKHIJVISJ-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.53
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-(2-Methoxyethyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 2168462
1-(2-Methoxyethyl)-3-pentan-2-ylthiourea
CID 19652343
1-(3,3-Dimethylbutan-2-yl)-3-(2-methoxyethyl)thiourea
CID 19676393
1-Cyclopropyl-3-(1-methoxypropan-2-yl)thiourea
CID 43384624
1-(2-Methoxyethyl)-1-methyl-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 74228631
1-(2-Methoxypropyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 102700050
1-(2-Methoxyethyl)-3-(3-methyl-2-propan-2-ylbutyl)thiourea
CID 102904813
1-(2,2-Dimethylbutyl)-3-(2-methoxyethyl)thiourea
CID 103461008
1-(2,2-Dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
CID 103461012
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-methylcyclopropyl)methyl]thiourea
CID 103723910

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea (CID 115674490) is 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea is COCCNC(=S)NC1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea?
The InChIKey is JNDNTQKHIJVISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-10(2)8(11(10,3)4)13-9(15)12-6-7-14-5/h8H,6-7H2,1-5H3,(H2,12,13,15).
What are the key properties of 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea?
1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea has a molecular weight of 230.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea is sourced from PubChem (CID 115674490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).