1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea

C11H25N3OS — CID 115595164

IUPAC1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea
SMILESCCOCCCNC(=S)NCCN(C)CC
InChIInChI=1S/C11H25N3OS/c1-4-14(3)9-8-13-11(16)12-7-6-10-15-5-2/h4-10H2,1-3H3,(H2,12,13,16)
InChIKeyUSDJKGZULZDEKP-UHFFFAOYSA-N
MW247.41 g/mol
LogP0.83
Rot. Bonds9

About 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea

1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea (PubChem CID 115595164) has the molecular formula C11H25N3OS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea
PubChem CID115595164
Molecular FormulaC11H25N3OS
Molecular Weight247.41 g/mol
Exact Mass247.17
IUPAC Name1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea
SMILESCCOCCCNC(=S)NCCN(C)CC
InChIInChI=1S/C11H25N3OS/c1-4-14(3)9-8-13-11(16)12-7-6-10-15-5-2/h4-10H2,1-3H3,(H2,12,13,16)
InChIKeyUSDJKGZULZDEKP-UHFFFAOYSA-N
XLogP0.83
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethoxypropyl)-3-pentylthiourea
CID 115570291
1-[4-(dimethylamino)butan-2-yl]-3-(3-ethoxypropyl)thiourea
CID 113227846
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-(2,2-difluoroethyl)-3-(3-ethoxypropyl)thiourea
CID 115667333
1-tert-butyl-3-(3-ethoxypropyl)thiourea
CID 43384731
2-(3-ethoxypropylcarbamothioylamino)ethyl carbamate
CID 116509852
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
CID 115687449
ethyl 2-(3-ethoxypropylcarbamothioylamino)acetate
CID 116507543
1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111221933
1-(3-ethoxypropyl)-3-(2-pyrrol-1-ylethyl)thiourea
CID 106390691
ethyl 2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoacetate
CID 62635568

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea (CID 115595164) is 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea is CCOCCCNC(=S)NCCN(C)CC.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea?
The InChIKey is USDJKGZULZDEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3OS/c1-4-14(3)9-8-13-11(16)12-7-6-10-15-5-2/h4-10H2,1-3H3,(H2,12,13,16).
What are the key properties of 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea?
1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea has a molecular weight of 247.41 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea is sourced from PubChem (CID 115595164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).