1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea

C9H17N3OS — CID 115641119

IUPAC1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea
SMILESCCNC(=S)NC1CCC(=O)N(C)C1
InChIInChI=1S/C9H17N3OS/c1-3-10-9(14)11-7-4-5-8(13)12(2)6-7/h7H,3-6H2,1-2H3,(H2,10,11,14)
InChIKeyLPYORHXWHBUGKF-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.09
Rot. Bonds2

About 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea

1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea (PubChem CID 115641119) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea
PubChem CID115641119
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea
SMILESCCNC(=S)NC1CCC(=O)N(C)C1
InChIInChI=1S/C9H17N3OS/c1-3-10-9(14)11-7-4-5-8(13)12(2)6-7/h7H,3-6H2,1-2H3,(H2,10,11,14)
InChIKeyLPYORHXWHBUGKF-UHFFFAOYSA-N
XLogP0.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64669408
2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 64667638
3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
CID 64668234
1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119155463
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119156266
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158630
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119155210
methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
CID 112617343
2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 64667991

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea?
The IUPAC name of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea (CID 115641119) is 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea.
What is the SMILES notation for 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea?
The canonical SMILES for 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea is CCNC(=S)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea?
The InChIKey is LPYORHXWHBUGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-10-9(14)11-7-4-5-8(13)12(2)6-7/h7H,3-6H2,1-2H3,(H2,10,11,14).
What are the key properties of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea?
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea has a molecular weight of 215.32 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea is sourced from PubChem (CID 115641119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).