(1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine

C10H24NO2PS — CID 23624184

IUPAC(1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine
SMILESCCOP(=O)(CC)S[C@@H](C)N(CC)CC
InChIInChI=1S/C10H24NO2PS/c1-6-11(7-2)10(5)15-14(12,9-4)13-8-3/h10H,6-9H2,1-5H3/t10-,14?/m0/s1
InChIKeySIERQTXISDRKQV-XLLULAGJSA-N
MW253.35 g/mol
LogP3.66
Rot. Bonds8

About (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine

(1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine (PubChem CID 23624184) has the molecular formula C10H24NO2PS and a molecular weight of 253.35 g/mol. Its IUPAC name is (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine.

Molecular Properties

Compound Name(1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine
PubChem CID23624184
Molecular FormulaC10H24NO2PS
Molecular Weight253.35 g/mol
Exact Mass253.13
IUPAC Name(1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine
SMILESCCOP(=O)(CC)S[C@@H](C)N(CC)CC
InChIInChI=1S/C10H24NO2PS/c1-6-11(7-2)10(5)15-14(12,9-4)13-8-3/h10H,6-9H2,1-5H3/t10-,14?/m0/s1
InChIKeySIERQTXISDRKQV-XLLULAGJSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
CID 523210
2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine
CID 126582667
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
2-[ethoxy(pentan-2-ylsulfanyl)phosphoryl]sulfanylpentane
CID 66524256
1-chloro-4-[ethoxy(ethyl)phosphoryl]sulfanylbenzene
CID 3046596
N-(diethoxyphosphorylmethyl)propan-2-amine
CID 12633666
2-diethoxyphosphorylbutane
CID 2733649
1-diethoxyphosphorylethanamine
CID 5149858
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine?
The IUPAC name of (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine (CID 23624184) is (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine.
What is the SMILES notation for (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine?
The canonical SMILES for (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine is CCOP(=O)(CC)S[C@@H](C)N(CC)CC.
What is the InChIKey of (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine?
The InChIKey is SIERQTXISDRKQV-XLLULAGJSA-N. The full InChI is InChI=1S/C10H24NO2PS/c1-6-11(7-2)10(5)15-14(12,9-4)13-8-3/h10H,6-9H2,1-5H3/t10-,14?/m0/s1.
What are the key properties of (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine?
(1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine has a molecular weight of 253.35 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-diethylethanamine is sourced from PubChem (CID 23624184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).