[propyl(thiolan-3-yl)amino]methylphosphonic acid

C8H18NO3PS — CID 57268842

IUPAC[propyl(thiolan-3-yl)amino]methylphosphonic acid
SMILESCCCN(CP(=O)(O)O)C1CCSC1
InChIInChI=1S/C8H18NO3PS/c1-2-4-9(7-13(10,11)12)8-3-5-14-6-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyWYHCMTSYPHIBCH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.34
Rot. Bonds5

About [propyl(thiolan-3-yl)amino]methylphosphonic acid

[propyl(thiolan-3-yl)amino]methylphosphonic acid (PubChem CID 57268842) has the molecular formula C8H18NO3PS and a molecular weight of 239.28 g/mol. Its IUPAC name is [propyl(thiolan-3-yl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[propyl(thiolan-3-yl)amino]methylphosphonic acid
PubChem CID57268842
Molecular FormulaC8H18NO3PS
Molecular Weight239.28 g/mol
Exact Mass239.07
IUPAC Name[propyl(thiolan-3-yl)amino]methylphosphonic acid
SMILESCCCN(CP(=O)(O)O)C1CCSC1
InChIInChI=1S/C8H18NO3PS/c1-2-4-9(7-13(10,11)12)8-3-5-14-6-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyWYHCMTSYPHIBCH-UHFFFAOYSA-N
XLogP1.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[phosphonomethyl(thiolan-3-yl)amino]methylphosphonic acid
CID 56977952
2-[ethyl(thiolan-3-yl)amino]ethanol
CID 121203695
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 121203714
1-[methyl(thiolan-3-yl)amino]pentan-2-one
CID 62043336
4-[propyl(thiolan-3-yl)amino]oxolane-3-carboxylic acid
CID 66253306
azane;[phosphonomethyl(propyl)amino]methylphosphonic acid
CID 138397255
2-[2-methoxyethyl(thian-3-yl)amino]acetic acid
CID 65067453
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
6-[methyl(thiolan-3-yl)amino]hexan-3-one
CID 106801314
2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
CID 61198741
N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine
CID 79715670

Frequently Asked Questions

What is the IUPAC name of [propyl(thiolan-3-yl)amino]methylphosphonic acid?
The IUPAC name of [propyl(thiolan-3-yl)amino]methylphosphonic acid (CID 57268842) is [propyl(thiolan-3-yl)amino]methylphosphonic acid.
What is the SMILES notation for [propyl(thiolan-3-yl)amino]methylphosphonic acid?
The canonical SMILES for [propyl(thiolan-3-yl)amino]methylphosphonic acid is CCCN(CP(=O)(O)O)C1CCSC1.
What is the InChIKey of [propyl(thiolan-3-yl)amino]methylphosphonic acid?
The InChIKey is WYHCMTSYPHIBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO3PS/c1-2-4-9(7-13(10,11)12)8-3-5-14-6-8/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of [propyl(thiolan-3-yl)amino]methylphosphonic acid?
[propyl(thiolan-3-yl)amino]methylphosphonic acid has a molecular weight of 239.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [propyl(thiolan-3-yl)amino]methylphosphonic acid is sourced from PubChem (CID 57268842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).