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

C11H22N2OS — CID 103734959

IUPAC1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea
SMILESCOCC(C)NC(=S)NCC1(C)CCC1
InChIInChI=1S/C11H22N2OS/c1-9(7-14-3)13-10(15)12-8-11(2)5-4-6-11/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyYAYXVCKJWDKDLE-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.68
Rot. Bonds5

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

1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea (PubChem CID 103734959) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea
PubChem CID103734959
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea
SMILESCOCC(C)NC(=S)NCC1(C)CCC1
InChIInChI=1S/C11H22N2OS/c1-9(7-14-3)13-10(15)12-8-11(2)5-4-6-11/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyYAYXVCKJWDKDLE-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea (CID 103734959) is 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea is COCC(C)NC(=S)NCC1(C)CCC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea?
The InChIKey is YAYXVCKJWDKDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(7-14-3)13-10(15)12-8-11(2)5-4-6-11/h9H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea?
1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea has a molecular weight of 230.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclobutyl)methyl]thiourea is sourced from PubChem (CID 103734959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).