N-[amino(propylamino)phosphinothioyl]propan-1-amine

C6H18N3PS — CID 165357637

IUPACN-[amino(propylamino)phosphinothioyl]propan-1-amine
SMILESCCCNP(N)(=S)NCCC
InChIInChI=1S/C6H18N3PS/c1-3-5-8-10(7,11)9-6-4-2/h3-6H2,1-2H3,(H4,7,8,9,11)
InChIKeyVUWFCGWMOOUEMB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.17
Rot. Bonds6

About N-[amino(propylamino)phosphinothioyl]propan-1-amine

N-[amino(propylamino)phosphinothioyl]propan-1-amine (PubChem CID 165357637) has the molecular formula C6H18N3PS and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[amino(propylamino)phosphinothioyl]propan-1-amine.

Molecular Properties

Compound NameN-[amino(propylamino)phosphinothioyl]propan-1-amine
PubChem CID165357637
Molecular FormulaC6H18N3PS
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC NameN-[amino(propylamino)phosphinothioyl]propan-1-amine
SMILESCCCNP(N)(=S)NCCC
InChIInChI=1S/C6H18N3PS/c1-3-5-8-10(7,11)9-6-4-2/h3-6H2,1-2H3,(H4,7,8,9,11)
InChIKeyVUWFCGWMOOUEMB-UHFFFAOYSA-N
XLogP1.17
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[amino(butylamino)phosphinothioyl]butan-1-amine
CID 151376674
1-[[[amino(butylamino)phosphinothioyl]amino]methyl]-3-[(carbamoylamino)methyl]urea
CID 126497354
butane;tetrasulfide;dithiophosphate
CID 21199892
bis(propylamino)phosphinic acid
CID 59603177
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
N-diaminophosphinothioylbutan-1-amine;urea
CID 90659758
butane;hydrazine
CID 161056989
butane;methanamine
CID 22416644
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
N-dichlorophosphinothioyloxypropan-1-amine
CID 129187979
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128

Frequently Asked Questions

What is the IUPAC name of N-[amino(propylamino)phosphinothioyl]propan-1-amine?
The IUPAC name of N-[amino(propylamino)phosphinothioyl]propan-1-amine (CID 165357637) is N-[amino(propylamino)phosphinothioyl]propan-1-amine.
What is the SMILES notation for N-[amino(propylamino)phosphinothioyl]propan-1-amine?
The canonical SMILES for N-[amino(propylamino)phosphinothioyl]propan-1-amine is CCCNP(N)(=S)NCCC.
What is the InChIKey of N-[amino(propylamino)phosphinothioyl]propan-1-amine?
The InChIKey is VUWFCGWMOOUEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3PS/c1-3-5-8-10(7,11)9-6-4-2/h3-6H2,1-2H3,(H4,7,8,9,11).
What are the key properties of N-[amino(propylamino)phosphinothioyl]propan-1-amine?
N-[amino(propylamino)phosphinothioyl]propan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(propylamino)phosphinothioyl]propan-1-amine is sourced from PubChem (CID 165357637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).