1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea

C11H23N3S — CID 17276884

IUPAC1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea
SMILESCCNC(=S)NC1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3S/c1-4-12-11(15)13-10-5-7-14(8-6-10)9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyMYJIZEWABAHMOG-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.34
Rot. Bonds3

About 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea

1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea (PubChem CID 17276884) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea
PubChem CID17276884
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea
SMILESCCNC(=S)NC1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3S/c1-4-12-11(15)13-10-5-7-14(8-6-10)9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyMYJIZEWABAHMOG-UHFFFAOYSA-N
XLogP1.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317344
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317343
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-propylguanidine
CID 111318542
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
ethyl 4-(ethylcarbamothioylamino)piperidine-1-carboxylate
CID 113218404
1-(4,4-dimethylcyclohexyl)-3-ethylthiourea
CID 115647000
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine
CID 111316428
1-ethyl-2-(2-methylsulfanylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319264
1-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)thiourea
CID 17264003
1-ethyl-2-(2-ethylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318278
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319397
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111789914

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea?
The IUPAC name of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea (CID 17276884) is 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea is CCNC(=S)NC1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea?
The InChIKey is MYJIZEWABAHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-4-12-11(15)13-10-5-7-14(8-6-10)9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea?
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea has a molecular weight of 229.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea is sourced from PubChem (CID 17276884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).