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

C12H25N3OS — CID 115590162

IUPAC1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCCN1CCCC(NC(=S)NC(C)COC)C1
InChIInChI=1S/C12H25N3OS/c1-4-15-7-5-6-11(8-15)14-12(17)13-10(2)9-16-3/h10-11H,4-9H2,1-3H3,(H2,13,14,17)
InChIKeyMPHUUAIFCABFAV-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.97
Rot. Bonds5

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

1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea (PubChem CID 115590162) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea
PubChem CID115590162
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCCN1CCCC(NC(=S)NC(C)COC)C1
InChIInChI=1S/C12H25N3OS/c1-4-15-7-5-6-11(8-15)14-12(17)13-10(2)9-16-3/h10-11H,4-9H2,1-3H3,(H2,13,14,17)
InChIKeyMPHUUAIFCABFAV-UHFFFAOYSA-N
XLogP0.97
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxypropan-2-yl)-3-(thian-4-yl)thiourea
CID 115599640
2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide
CID 55080821
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
2-hydroxyethyl N-(1-ethylpiperidin-3-yl)carbamate
CID 79348890
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 116509022
1-[(2S)-1-methoxypropan-2-yl]-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea
CID 9112302
3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
CID 115580652
2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid
CID 61478379
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea (CID 115590162) is 1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea is CCN1CCCC(NC(=S)NC(C)COC)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea?
The InChIKey is MPHUUAIFCABFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-4-15-7-5-6-11(8-15)14-12(17)13-10(2)9-16-3/h10-11H,4-9H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea?
1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea has a molecular weight of 259.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea is sourced from PubChem (CID 115590162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).