(2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine

C6H14NO2PS — CID 11860346

IUPAC(2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine
SMILESC[C@@H]1CCO[P@@](=S)(N(C)C)O1
InChIInChI=1S/C6H14NO2PS/c1-6-4-5-8-10(11,9-6)7(2)3/h6H,4-5H2,1-3H3/t6-,10+/m1/s1
InChIKeyMDMQPPVEEDOYQR-LDWIPMOCSA-N
MW195.22 g/mol
LogP1.60
Rot. Bonds1

About (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine

(2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 11860346) has the molecular formula C6H14NO2PS and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound Name(2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID11860346
Molecular FormulaC6H14NO2PS
Molecular Weight195.22 g/mol
Exact Mass195.05
IUPAC Name(2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine
SMILESC[C@@H]1CCO[P@@](=S)(N(C)C)O1
InChIInChI=1S/C6H14NO2PS/c1-6-4-5-8-10(11,9-6)7(2)3/h6H,4-5H2,1-3H3/t6-,10+/m1/s1
InChIKeyMDMQPPVEEDOYQR-LDWIPMOCSA-N
XLogP1.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine (CID 11860346) is (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine is C[C@@H]1CCO[P@@](=S)(N(C)C)O1.
What is the InChIKey of (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is MDMQPPVEEDOYQR-LDWIPMOCSA-N. The full InChI is InChI=1S/C6H14NO2PS/c1-6-4-5-8-10(11,9-6)7(2)3/h6H,4-5H2,1-3H3/t6-,10+/m1/s1.
What are the key properties of (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
(2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 195.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N,4-trimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 11860346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).