dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane

C5H17NO3PS+ — CID 174724502

IUPACdihydroxy(oxo)phosphanium;pentan-1-amine;sulfane
SMILESCCCCCN.O=[P+](O)O.S
InChIInChI=1S/C5H13N.HO3P.H2S/c1-2-3-4-5-6;1-4(2)3;/h2-6H2,1H3;(H-,1,2,3);1H2/p+1
InChIKeyAETATCXTFYJVNC-UHFFFAOYSA-O
MW202.24 g/mol
LogP0.88
Rot. Bonds3

About dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane

dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane (PubChem CID 174724502) has the molecular formula C5H17NO3PS+ and a molecular weight of 202.24 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;pentan-1-amine;sulfane
PubChem CID174724502
Molecular FormulaC5H17NO3PS+
Molecular Weight202.24 g/mol
Exact Mass202.07
IUPAC Namedihydroxy(oxo)phosphanium;pentan-1-amine;sulfane
SMILESCCCCCN.O=[P+](O)O.S
InChIInChI=1S/C5H13N.HO3P.H2S/c1-2-3-4-5-6;1-4(2)3;/h2-6H2,1H3;(H-,1,2,3);1H2/p+1
InChIKeyAETATCXTFYJVNC-UHFFFAOYSA-O
XLogP0.88
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
pentan-1-amine;phosphane;sulfane
CID 174645981
ethoxy-hydroxy-oxophosphanium;hexadecan-1-amine
CID 173408938
ethoxy-hydroxy-oxophosphanium;octadecan-1-amine
CID 173408964
dodecan-1-amine;hydroxylamine
CID 175960605
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
hexadecan-1-amine;propan-2-one
CID 175396285

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane?
The IUPAC name of dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane (CID 174724502) is dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane.
What is the SMILES notation for dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane?
The canonical SMILES for dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane is CCCCCN.O=[P+](O)O.S.
What is the InChIKey of dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane?
The InChIKey is AETATCXTFYJVNC-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N.HO3P.H2S/c1-2-3-4-5-6;1-4(2)3;/h2-6H2,1H3;(H-,1,2,3);1H2/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane?
dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane has a molecular weight of 202.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane is sourced from PubChem (CID 174724502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).