N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide

C15H23N5OS — CID 36787634

IUPACN-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESC=CCn1cnn(CN2CCC(NC(=O)C3CC3)CC2)c1=S
InChIInChI=1S/C15H23N5OS/c1-2-7-19-10-16-20(15(19)22)11-18-8-5-13(6-9-18)17-14(21)12-3-4-12/h2,10,12-13H,1,3-9,11H2,(H,17,21)
InChIKeyHLFWLURHTJMOMN-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.55
Rot. Bonds6

About N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 36787634) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID36787634
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC NameN-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESC=CCn1cnn(CN2CCC(NC(=O)C3CC3)CC2)c1=S
InChIInChI=1S/C15H23N5OS/c1-2-7-19-10-16-20(15(19)22)11-18-8-5-13(6-9-18)17-14(21)12-3-4-12/h2,10,12-13H,1,3-9,11H2,(H,17,21)
InChIKeyHLFWLURHTJMOMN-UHFFFAOYSA-N
XLogP1.55
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 36787144
4-prop-2-enyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione
CID 9232122
N-(2,3-dimethylphenyl)-2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide
CID 9279953
3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 119879095
N-[1-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 55861849
N-cyclopropyl-1-[(4-phenylpyrazol-1-yl)methyl]piperidine-4-carboxamide
CID 51097163
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 97457906
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86860914
N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47395832

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide (CID 36787634) is N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide is C=CCn1cnn(CN2CCC(NC(=O)C3CC3)CC2)c1=S.
What is the InChIKey of N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is HLFWLURHTJMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-2-7-19-10-16-20(15(19)22)11-18-8-5-13(6-9-18)17-14(21)12-3-4-12/h2,10,12-13H,1,3-9,11H2,(H,17,21).
What are the key properties of N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 321.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 36787634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).