1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea

C10H22N2OS — CID 19652817

IUPAC1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea
SMILESCCC(C)(C)NC(=S)NCCCOC
InChIInChI=1S/C10H22N2OS/c1-5-10(2,3)12-9(14)11-7-6-8-13-4/h5-8H2,1-4H3,(H2,11,12,14)
InChIKeyLIPJDAWQANNVQL-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.68
Rot. Bonds6

About 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea

1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea (PubChem CID 19652817) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea
PubChem CID19652817
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea
SMILESCCC(C)(C)NC(=S)NCCCOC
InChIInChI=1S/C10H22N2OS/c1-5-10(2,3)12-9(14)11-7-6-8-13-4/h5-8H2,1-4H3,(H2,11,12,14)
InChIKeyLIPJDAWQANNVQL-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.68
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-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-tert-butyl-3-(3-ethoxypropyl)thiourea
CID 43384731
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
1-[(2S)-butan-2-yl]-3-(3-methoxypropyl)thiourea
CID 40553594
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445
3-(3-methoxypropylcarbamothioylamino)-N,2,2-trimethylpropanamide
CID 103822776
1-(2,2-difluoroethyl)-3-(3-methoxypropyl)thiourea
CID 115667334
1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 103721496
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
CID 103723918
N-(3-methoxypropyl)-3,3-dimethylpentanamide
CID 130272308

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea (CID 19652817) is 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea is CCC(C)(C)NC(=S)NCCCOC.
What is the InChIKey of 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea?
The InChIKey is LIPJDAWQANNVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-5-10(2,3)12-9(14)11-7-6-8-13-4/h5-8H2,1-4H3,(H2,11,12,14).
What are the key properties of 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea?
1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea has a molecular weight of 218.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea is sourced from PubChem (CID 19652817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).