1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea

C10H20N2OS — CID 103723918

IUPAC1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
SMILESCOCCCNC(=S)NCC1(C)CC1
InChIInChI=1S/C10H20N2OS/c1-10(4-5-10)8-12-9(14)11-6-3-7-13-2/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeyYCXHFRNZJJNFSM-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.29
Rot. Bonds6

About 1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea

1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea (PubChem CID 103723918) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
PubChem CID103723918
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
SMILESCOCCCNC(=S)NCC1(C)CC1
InChIInChI=1S/C10H20N2OS/c1-10(4-5-10)8-12-9(14)11-6-3-7-13-2/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeyYCXHFRNZJJNFSM-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
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-(3-methoxypropyl)-3-[(1-methylsulfanylcyclopentyl)methyl]thiourea
CID 114115865
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea
CID 115590205
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
1-(3-methoxypropyl)-2-methyl-3-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 111759040
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-(2,2-difluoroethyl)-3-(3-methoxypropyl)thiourea
CID 115667334
1-[(1-methylcyclopentyl)methyl]-3-propylthiourea
CID 115618763
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
2-(3-methoxypropylcarbamothioylamino)acetamide
CID 115605893
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
1-(3-methoxypropyl)-3-(oxan-4-ylmethyl)thiourea
CID 115599220
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea (CID 103723918) is 1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea is COCCCNC(=S)NCC1(C)CC1.
What is the InChIKey of 1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea?
The InChIKey is YCXHFRNZJJNFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(4-5-10)8-12-9(14)11-6-3-7-13-2/h3-8H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea?
1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea has a molecular weight of 216.35 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-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea is sourced from PubChem (CID 103723918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).