N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine

C5H13ClNO2PS — CID 13343589

IUPACN-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine
SMILESCOCCCNP(=S)(Cl)OC
InChIInChI=1S/C5H13ClNO2PS/c1-8-5-3-4-7-10(6,11)9-2/h3-5H2,1-2H3,(H,7,11)
InChIKeyNMPBCLVETBNCBZ-UHFFFAOYSA-N
MW217.66 g/mol
LogP1.72
Rot. Bonds6

About N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine

N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine (PubChem CID 13343589) has the molecular formula C5H13ClNO2PS and a molecular weight of 217.66 g/mol. Its IUPAC name is N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine
PubChem CID13343589
Molecular FormulaC5H13ClNO2PS
Molecular Weight217.66 g/mol
Exact Mass217.01
IUPAC NameN-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine
SMILESCOCCCNP(=S)(Cl)OC
InChIInChI=1S/C5H13ClNO2PS/c1-8-5-3-4-7-10(6,11)9-2/h3-5H2,1-2H3,(H,7,11)
InChIKeyNMPBCLVETBNCBZ-UHFFFAOYSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine (CID 13343589) is N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine is COCCCNP(=S)(Cl)OC.
What is the InChIKey of N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine?
The InChIKey is NMPBCLVETBNCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClNO2PS/c1-8-5-3-4-7-10(6,11)9-2/h3-5H2,1-2H3,(H,7,11).
What are the key properties of N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine?
N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine has a molecular weight of 217.66 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 13343589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).