N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine

C9H22NOPS — CID 102289077

IUPACN-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine
SMILESCCCCCSP(=O)(CC)N(C)C
InChIInChI=1S/C9H22NOPS/c1-5-7-8-9-13-12(11,6-2)10(3)4/h5-9H2,1-4H3
InChIKeyJEHZKWLCHMMYLY-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.68
Rot. Bonds7

About N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine

N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine (PubChem CID 102289077) has the molecular formula C9H22NOPS and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine
PubChem CID102289077
Molecular FormulaC9H22NOPS
Molecular Weight223.32 g/mol
Exact Mass223.12
IUPAC NameN-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine
SMILESCCCCCSP(=O)(CC)N(C)C
InChIInChI=1S/C9H22NOPS/c1-5-7-8-9-13-12(11,6-2)10(3)4/h5-9H2,1-4H3
InChIKeyJEHZKWLCHMMYLY-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

decylsulfanylphosphonic acid
CID 21217457
1-dichlorophosphorylsulfanylhexane
CID 19915290
N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine;heptane
CID 175509277
1-[chloro(ethyl)phosphoryl]sulfanylbutane
CID 20555802
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866
1-[decoxy(octylsulfanyl)phosphoryl]oxydecane
CID 88718944
N-[dimethylamino(pentyl)phosphoryl]-N-methylmethanamine
CID 14744080
dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
N-[[methoxymethyl(methyl)amino]-pentylsulfanylphosphoryl]-N-methylethanethioamide
CID 88722797
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
butoxy(octylsulfanyl)phosphinic acid;zinc
CID 175444603
1-[butylsulfanyl(hexoxy)phosphoryl]oxyhexane
CID 170848700

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine (CID 102289077) is N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine is CCCCCSP(=O)(CC)N(C)C.
What is the InChIKey of N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine?
The InChIKey is JEHZKWLCHMMYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NOPS/c1-5-7-8-9-13-12(11,6-2)10(3)4/h5-9H2,1-4H3.
What are the key properties of N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine?
N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(pentylsulfanyl)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 102289077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).