1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea

C11H22N2OS — CID 103710008

IUPAC1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea
SMILESCCCC1CC1NC(=S)NC(C)COC
InChIInChI=1S/C11H22N2OS/c1-4-5-9-6-10(9)13-11(15)12-8(2)7-14-3/h8-10H,4-7H2,1-3H3,(H2,12,13,15)
InChIKeyQQKONLCWCUAVOL-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.67
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea

1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea (PubChem CID 103710008) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea
PubChem CID103710008
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea
SMILESCCCC1CC1NC(=S)NC(C)COC
InChIInChI=1S/C11H22N2OS/c1-4-5-9-6-10(9)13-11(15)12-8(2)7-14-3/h8-10H,4-7H2,1-3H3,(H2,12,13,15)
InChIKeyQQKONLCWCUAVOL-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-3-(2-methoxyethyl)thiourea
CID 3923011
1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 7941517
1-cyclohexyl-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 7941519
1-(2-Methoxyethyl)-3-(6-methylheptan-2-yl)thiourea
CID 17278279
1-Hexyl-3-(2-methoxyethyl)thiourea
CID 19650798
1-Heptan-2-yl-3-(2-methoxyethyl)thiourea
CID 19650968
1-(2-Ethylhexyl)-3-(2-methoxyethyl)thiourea
CID 19651775
1-(2-Methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
1-(2-Methoxyethyl)-3-pentan-2-ylthiourea
CID 19652343
1-(3-Methoxypropyl)-3-(6-methylheptan-2-yl)thiourea
CID 19652432
1-(2-Methoxyethyl)-3-(2-methylcyclohexyl)thiourea
CID 19652594
1-(2-Methoxyethyl)-3-(4-methylcyclohexyl)thiourea
CID 20179740

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea (CID 103710008) is 1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea is CCCC1CC1NC(=S)NC(C)COC.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea?
The InChIKey is QQKONLCWCUAVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-5-9-6-10(9)13-11(15)12-8(2)7-14-3/h8-10H,4-7H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea?
1-(1-methoxypropan-2-yl)-3-(2-propylcyclopropyl)thiourea has a molecular weight of 230.38 g/mol, XLogP of 1.67, 6 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-(2-propylcyclopropyl)thiourea is sourced from PubChem (CID 103710008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).