1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea

C11H20N2OS — CID 115577098

IUPAC1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NC(C1CC1)C1CC1
InChIInChI=1S/C11H20N2OS/c1-14-7-6-12-11(15)13-10(8-2-3-8)9-4-5-9/h8-10H,2-7H2,1H3,(H2,12,13,15)
InChIKeyNMWVPOGNGVMDIE-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.29
Rot. Bonds6

About 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea

1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea (PubChem CID 115577098) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea
PubChem CID115577098
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NC(C1CC1)C1CC1
InChIInChI=1S/C11H20N2OS/c1-14-7-6-12-11(15)13-10(8-2-3-8)9-4-5-9/h8-10H,2-7H2,1H3,(H2,12,13,15)
InChIKeyNMWVPOGNGVMDIE-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.29
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-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 115647012
2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349
3-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 112700222
1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
CID 115588050
1-(3-methoxypropyl)-3-[1-(oxan-4-yl)ethyl]thiourea
CID 103767959
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea
CID 115583442
1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
CID 17373263
1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
CID 104587643
N'-(2-methoxyethyl)ethanedithioamide
CID 12684688
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea (CID 115577098) is 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea is COCCNC(=S)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea?
The InChIKey is NMWVPOGNGVMDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-14-7-6-12-11(15)13-10(8-2-3-8)9-4-5-9/h8-10H,2-7H2,1H3,(H2,12,13,15).
What are the key properties of 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea?
1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea has a molecular weight of 228.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 115577098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).