piperidin-1-amine;thiourea

C6H16N4S — CID 175021808

IUPACpiperidin-1-amine;thiourea
SMILESNC(N)=S.NN1CCCCC1
InChIInChI=1S/C5H12N2.CH4N2S/c6-7-4-2-1-3-5-7;2-1(3)4/h1-6H2;(H4,2,3,4)
InChIKeyRGJPZMNBHDAIRW-UHFFFAOYSA-N
MW176.29 g/mol
LogP-0.47
Rot. Bonds

About piperidin-1-amine;thiourea

piperidin-1-amine;thiourea (PubChem CID 175021808) has the molecular formula C6H16N4S and a molecular weight of 176.29 g/mol. Its IUPAC name is piperidin-1-amine;thiourea.

Molecular Properties

Compound Namepiperidin-1-amine;thiourea
PubChem CID175021808
Molecular FormulaC6H16N4S
Molecular Weight176.29 g/mol
Exact Mass176.11
IUPAC Namepiperidin-1-amine;thiourea
SMILESNC(N)=S.NN1CCCCC1
InChIInChI=1S/C5H12N2.CH4N2S/c6-7-4-2-1-3-5-7;2-1(3)4/h1-6H2;(H4,2,3,4)
InChIKeyRGJPZMNBHDAIRW-UHFFFAOYSA-N
XLogP-0.47
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-amine;thiourea?
The IUPAC name of piperidin-1-amine;thiourea (CID 175021808) is piperidin-1-amine;thiourea.
What is the SMILES notation for piperidin-1-amine;thiourea?
The canonical SMILES for piperidin-1-amine;thiourea is NC(N)=S.NN1CCCCC1.
What is the InChIKey of piperidin-1-amine;thiourea?
The InChIKey is RGJPZMNBHDAIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.CH4N2S/c6-7-4-2-1-3-5-7;2-1(3)4/h1-6H2;(H4,2,3,4).
What are the key properties of piperidin-1-amine;thiourea?
piperidin-1-amine;thiourea has a molecular weight of 176.29 g/mol, XLogP of -0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-amine;thiourea is sourced from PubChem (CID 175021808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).