piperidin-1-yl N-piperidin-1-ylcarbamodithioate

C11H21N3S2 — CID 174351815

IUPACpiperidin-1-yl N-piperidin-1-ylcarbamodithioate
SMILESS=C(NN1CCCCC1)SN1CCCCC1
InChIInChI=1S/C11H21N3S2/c15-11(12-13-7-3-1-4-8-13)16-14-9-5-2-6-10-14/h1-10H2,(H,12,15)
InChIKeyAKVDJDXKZZLYQK-UHFFFAOYSA-N
MW259.44 g/mol
LogP2.40
Rot. Bonds2

About piperidin-1-yl N-piperidin-1-ylcarbamodithioate

piperidin-1-yl N-piperidin-1-ylcarbamodithioate (PubChem CID 174351815) has the molecular formula C11H21N3S2 and a molecular weight of 259.44 g/mol. Its IUPAC name is piperidin-1-yl N-piperidin-1-ylcarbamodithioate.

Molecular Properties

Compound Namepiperidin-1-yl N-piperidin-1-ylcarbamodithioate
PubChem CID174351815
Molecular FormulaC11H21N3S2
Molecular Weight259.44 g/mol
Exact Mass259.12
IUPAC Namepiperidin-1-yl N-piperidin-1-ylcarbamodithioate
SMILESS=C(NN1CCCCC1)SN1CCCCC1
InChIInChI=1S/C11H21N3S2/c15-11(12-13-7-3-1-4-8-13)16-14-9-5-2-6-10-14/h1-10H2,(H,12,15)
InChIKeyAKVDJDXKZZLYQK-UHFFFAOYSA-N
XLogP2.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_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 piperidin-1-yl N-piperidin-1-ylcarbamodithioate?
The IUPAC name of piperidin-1-yl N-piperidin-1-ylcarbamodithioate (CID 174351815) is piperidin-1-yl N-piperidin-1-ylcarbamodithioate.
What is the SMILES notation for piperidin-1-yl N-piperidin-1-ylcarbamodithioate?
The canonical SMILES for piperidin-1-yl N-piperidin-1-ylcarbamodithioate is S=C(NN1CCCCC1)SN1CCCCC1.
What is the InChIKey of piperidin-1-yl N-piperidin-1-ylcarbamodithioate?
The InChIKey is AKVDJDXKZZLYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S2/c15-11(12-13-7-3-1-4-8-13)16-14-9-5-2-6-10-14/h1-10H2,(H,12,15).
What are the key properties of piperidin-1-yl N-piperidin-1-ylcarbamodithioate?
piperidin-1-yl N-piperidin-1-ylcarbamodithioate has a molecular weight of 259.44 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl N-piperidin-1-ylcarbamodithioate is sourced from PubChem (CID 174351815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).