2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine

C5H13N2O3PS — CID 57139319

IUPAC2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine
SMILESNC/C=N/CCCOP(O)(O)=S
InChIInChI=1S/C5H13N2O3PS/c6-2-4-7-3-1-5-10-11(8,9)12/h4H,1-3,5-6H2,(H2,8,9,12)/b7-4+
InChIKeyXZZKQTKXDHTBBY-QPJJXVBHSA-N
MW212.21 g/mol
LogP-0.37
Rot. Bonds6

About 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine

2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine (PubChem CID 57139319) has the molecular formula C5H13N2O3PS and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine.

Molecular Properties

Compound Name2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine
PubChem CID57139319
Molecular FormulaC5H13N2O3PS
Molecular Weight212.21 g/mol
Exact Mass212.04
IUPAC Name2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine
SMILESNC/C=N/CCCOP(O)(O)=S
InChIInChI=1S/C5H13N2O3PS/c6-2-4-7-3-1-5-10-11(8,9)12/h4H,1-3,5-6H2,(H2,8,9,12)/b7-4+
InChIKeyXZZKQTKXDHTBBY-QPJJXVBHSA-N
XLogP-0.37
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane
CID 88762245
azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 175188464
prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87783946
4,4-diphenylbutoxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 54339531
18-dihydroxyphosphinothioyloxyoctadecyl 2-methylprop-2-enoate
CID 22708493
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;propane-1,3-diamine;dihydrate
CID 174642469
dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane
CID 150954561
dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane
CID 76673105
4-(3-aminopropylimino)butan-1-amine
CID 23657850
tris((2S)-2,6-diaminohexanoic acid);bis(dihydroxy-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane)
CID 91810829
dihydroxy-[8-(2-octylcyclopropyl)octoxy]-sulfanylidene-λ5-phosphane
CID 58049488
3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol
CID 152706719

Frequently Asked Questions

What is the IUPAC name of 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine?
The IUPAC name of 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine (CID 57139319) is 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine.
What is the SMILES notation for 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine?
The canonical SMILES for 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine is NC/C=N/CCCOP(O)(O)=S.
What is the InChIKey of 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine?
The InChIKey is XZZKQTKXDHTBBY-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H13N2O3PS/c6-2-4-7-3-1-5-10-11(8,9)12/h4H,1-3,5-6H2,(H2,8,9,12)/b7-4+.
What are the key properties of 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine?
2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine has a molecular weight of 212.21 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine is sourced from PubChem (CID 57139319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).