1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea

C15H29N5S — CID 21433101

IUPAC1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea
SMILESCC(C)(/N=N/C1CCCCC1)NC(=S)NN1CCCCC1
InChIInChI=1S/C15H29N5S/c1-15(2,19-17-13-9-5-3-6-10-13)16-14(21)18-20-11-7-4-8-12-20/h13H,3-12H2,1-2H3,(H2,16,18,21)/b19-17+
InChIKeyLZFAHDWOSSHTOL-HTXNQAPBSA-N
MW311.50 g/mol
LogP3.37
Rot. Bonds4

About 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea

1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea (PubChem CID 21433101) has the molecular formula C15H29N5S and a molecular weight of 311.50 g/mol. Its IUPAC name is 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea.

Molecular Properties

Compound Name1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea
PubChem CID21433101
Molecular FormulaC15H29N5S
Molecular Weight311.50 g/mol
Exact Mass311.21
IUPAC Name1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea
SMILESCC(C)(/N=N/C1CCCCC1)NC(=S)NN1CCCCC1
InChIInChI=1S/C15H29N5S/c1-15(2,19-17-13-9-5-3-6-10-13)16-14(21)18-20-11-7-4-8-12-20/h13H,3-12H2,1-2H3,(H2,16,18,21)/b19-17+
InChIKeyLZFAHDWOSSHTOL-HTXNQAPBSA-N
XLogP3.37
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea?
The IUPAC name of 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea (CID 21433101) is 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea.
What is the SMILES notation for 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea?
The canonical SMILES for 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea is CC(C)(/N=N/C1CCCCC1)NC(=S)NN1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea?
The InChIKey is LZFAHDWOSSHTOL-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H29N5S/c1-15(2,19-17-13-9-5-3-6-10-13)16-14(21)18-20-11-7-4-8-12-20/h13H,3-12H2,1-2H3,(H2,16,18,21)/b19-17+.
What are the key properties of 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea?
1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea has a molecular weight of 311.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexyldiazenyl)propan-2-yl]-3-piperidin-1-ylthiourea is sourced from PubChem (CID 21433101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).