N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine

C15H33N6PS — CID 134094637

IUPACN-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine
SMILESS=P(NN1CCCCC1)(NN1CCCCC1)NN1CCCCC1
InChIInChI=1S/C15H33N6PS/c23-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H2,(H3,16,17,18,23)
InChIKeyJGMDZGOJEOKIIC-UHFFFAOYSA-N
MW360.51 g/mol
LogP2.18
Rot. Bonds6

About N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine

N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine (PubChem CID 134094637) has the molecular formula C15H33N6PS and a molecular weight of 360.51 g/mol. Its IUPAC name is N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine.

Molecular Properties

Compound NameN-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine
PubChem CID134094637
Molecular FormulaC15H33N6PS
Molecular Weight360.51 g/mol
Exact Mass360.22
IUPAC NameN-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine
SMILESS=P(NN1CCCCC1)(NN1CCCCC1)NN1CCCCC1
InChIInChI=1S/C15H33N6PS/c23-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H2,(H3,16,17,18,23)
InChIKeyJGMDZGOJEOKIIC-UHFFFAOYSA-N
XLogP2.18
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine?
The IUPAC name of N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine (CID 134094637) is N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine.
What is the SMILES notation for N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine?
The canonical SMILES for N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine is S=P(NN1CCCCC1)(NN1CCCCC1)NN1CCCCC1.
What is the InChIKey of N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine?
The InChIKey is JGMDZGOJEOKIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N6PS/c23-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H2,(H3,16,17,18,23).
What are the key properties of N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine?
N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine has a molecular weight of 360.51 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine is sourced from PubChem (CID 134094637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).