N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide

C15H27N3S — CID 134923720

IUPACN-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide
SMILESCCNC(=S)C=C(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H27N3S/c1-2-16-14(19)13-15(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13H,2-12H2,1H3,(H,16,19)
InChIKeyGSJBVQOSOBNPQQ-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.74
Rot. Bonds4

About N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide

N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide (PubChem CID 134923720) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide.

Molecular Properties

Compound NameN-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide
PubChem CID134923720
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide
SMILESCCNC(=S)C=C(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H27N3S/c1-2-16-14(19)13-15(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13H,2-12H2,1H3,(H,16,19)
InChIKeyGSJBVQOSOBNPQQ-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide 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

N-propylazepane-1-carbothioamide
CID 19654131
2-(azepan-1-yl)-N-ethyl-2-oxoacetamide
CID 108521159
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide
CID 115583418
N-(trimethylsilylmethyl)piperidine-1-carbothioamide
CID 15305441
N-ethylpiperazine-1-carbothioamide
CID 13077529
ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate
CID 12716081
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carbothioamide
CID 43414187
1-piperidin-1-yloctane-1-thione
CID 45118754
N-pentylpyrrolidine-1-carbothioamide
CID 127515670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide?
The IUPAC name of N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide (CID 134923720) is N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide.
What is the SMILES notation for N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide?
The canonical SMILES for N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide is CCNC(=S)C=C(N1CCCCC1)N1CCCCC1.
What is the InChIKey of N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide?
The InChIKey is GSJBVQOSOBNPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-2-16-14(19)13-15(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13H,2-12H2,1H3,(H,16,19).
What are the key properties of N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide?
N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide has a molecular weight of 281.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide is sourced from PubChem (CID 134923720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).