(piperidine-1-carbothioylamino)thiourea

C7H14N4S2 — CID 6420289

IUPAC(piperidine-1-carbothioylamino)thiourea
SMILESNC(=S)NNC(=S)N1CCCCC1
InChIInChI=1S/C7H14N4S2/c8-6(12)9-10-7(13)11-4-2-1-3-5-11/h1-5H2,(H,10,13)(H3,8,9,12)
InChIKeySKGACTNRXFPHOO-UHFFFAOYSA-N
MW218.35 g/mol
LogP0.09
Rot. Bonds

About (piperidine-1-carbothioylamino)thiourea

(piperidine-1-carbothioylamino)thiourea (PubChem CID 6420289) has the molecular formula C7H14N4S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is (piperidine-1-carbothioylamino)thiourea.

Molecular Properties

Compound Name(piperidine-1-carbothioylamino)thiourea
PubChem CID6420289
Molecular FormulaC7H14N4S2
Molecular Weight218.35 g/mol
Exact Mass218.07
IUPAC Name(piperidine-1-carbothioylamino)thiourea
SMILESNC(=S)NNC(=S)N1CCCCC1
InChIInChI=1S/C7H14N4S2/c8-6(12)9-10-7(13)11-4-2-1-3-5-11/h1-5H2,(H,10,13)(H3,8,9,12)
InChIKeySKGACTNRXFPHOO-UHFFFAOYSA-N
XLogP0.09
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (piperidine-1-carbothioylamino)thiourea?
The IUPAC name of (piperidine-1-carbothioylamino)thiourea (CID 6420289) is (piperidine-1-carbothioylamino)thiourea.
What is the SMILES notation for (piperidine-1-carbothioylamino)thiourea?
The canonical SMILES for (piperidine-1-carbothioylamino)thiourea is NC(=S)NNC(=S)N1CCCCC1.
What is the InChIKey of (piperidine-1-carbothioylamino)thiourea?
The InChIKey is SKGACTNRXFPHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S2/c8-6(12)9-10-7(13)11-4-2-1-3-5-11/h1-5H2,(H,10,13)(H3,8,9,12).
What are the key properties of (piperidine-1-carbothioylamino)thiourea?
(piperidine-1-carbothioylamino)thiourea has a molecular weight of 218.35 g/mol, XLogP of 0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (piperidine-1-carbothioylamino)thiourea is sourced from PubChem (CID 6420289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).