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

C11H22N2OS — CID 103734946

IUPAC1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
SMILESCCC1(CNC(=S)NC(C)COC)CC1
InChIInChI=1S/C11H22N2OS/c1-4-11(5-6-11)8-12-10(15)13-9(2)7-14-3/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyJAOBIOXFWSFXDG-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.68
Rot. Bonds6

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

1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea (PubChem CID 103734946) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
PubChem CID103734946
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
SMILESCCC1(CNC(=S)NC(C)COC)CC1
InChIInChI=1S/C11H22N2OS/c1-4-11(5-6-11)8-12-10(15)13-9(2)7-14-3/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyJAOBIOXFWSFXDG-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea (CID 103734946) is 1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea is CCC1(CNC(=S)NC(C)COC)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
The InChIKey is JAOBIOXFWSFXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-11(5-6-11)8-12-10(15)13-9(2)7-14-3/h9H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
1-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea has a molecular weight of 230.38 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-[(1-ethylcyclopropyl)methyl]-3-(1-methoxypropan-2-yl)thiourea is sourced from PubChem (CID 103734946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).