[(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea

C9H18N4S — CID 4924299

IUPAC[(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea
SMILESCC(C)N1CCC(=NNC(N)=S)CC1
InChIInChI=1S/C9H18N4S/c1-7(2)13-5-3-8(4-6-13)11-12-9(10)14/h7H,3-6H2,1-2H3,(H3,10,12,14)
InChIKeyVGUOKPDASWSJND-UHFFFAOYSA-N
MW214.34 g/mol
LogP0.68
Rot. Bonds2

About [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea

[(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea (PubChem CID 4924299) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea.

Molecular Properties

Compound Name[(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea
PubChem CID4924299
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name[(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea
SMILESCC(C)N1CCC(=NNC(N)=S)CC1
InChIInChI=1S/C9H18N4S/c1-7(2)13-5-3-8(4-6-13)11-12-9(10)14/h7H,3-6H2,1-2H3,(H3,10,12,14)
InChIKeyVGUOKPDASWSJND-UHFFFAOYSA-N
XLogP0.68
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea?
The IUPAC name of [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea (CID 4924299) is [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea.
What is the SMILES notation for [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea?
The canonical SMILES for [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea is CC(C)N1CCC(=NNC(N)=S)CC1.
What is the InChIKey of [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea?
The InChIKey is VGUOKPDASWSJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-7(2)13-5-3-8(4-6-13)11-12-9(10)14/h7H,3-6H2,1-2H3,(H3,10,12,14).
What are the key properties of [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea?
[(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea has a molecular weight of 214.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-propan-2-ylpiperidin-4-ylidene)amino]thiourea is sourced from PubChem (CID 4924299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).