1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea

C11H23N3S — CID 21450382

IUPAC1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea
SMILESCCC1CCCCN1CCNC(=S)NC
InChIInChI=1S/C11H23N3S/c1-3-10-6-4-5-8-14(10)9-7-13-11(15)12-2/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyZEVGHYGPBWQRQN-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.34
Rot. Bonds4

About 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea

1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea (PubChem CID 21450382) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea
PubChem CID21450382
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea
SMILESCCC1CCCCN1CCNC(=S)NC
InChIInChI=1S/C11H23N3S/c1-3-10-6-4-5-8-14(10)9-7-13-11(15)12-2/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyZEVGHYGPBWQRQN-UHFFFAOYSA-N
XLogP1.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.34
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

N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100685707
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863
1-(cyclopropylmethyl)-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111568492
1-cyclopropyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111435375
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111435372
(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
CID 119887846
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575588
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(2-fluorophenyl)thiourea
CID 100686060
1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100686423
2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 130635124

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea (CID 21450382) is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea is CCC1CCCCN1CCNC(=S)NC.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea?
The InChIKey is ZEVGHYGPBWQRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-3-10-6-4-5-8-14(10)9-7-13-11(15)12-2/h10H,3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea?
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea has a molecular weight of 229.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea is sourced from PubChem (CID 21450382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).