N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine

C10H24NO3PS — CID 58836465

IUPACN-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine
SMILESCOP(=O)(CC(C)(C)NSC(C)(C)C)OC
InChIInChI=1S/C10H24NO3PS/c1-9(2,3)16-11-10(4,5)8-15(12,13-6)14-7/h11H,8H2,1-7H3
InChIKeyYINQXNMGFPHPBE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.29
Rot. Bonds6

About N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine

N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine (PubChem CID 58836465) has the molecular formula C10H24NO3PS and a molecular weight of 269.35 g/mol. Its IUPAC name is N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine
PubChem CID58836465
Molecular FormulaC10H24NO3PS
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC NameN-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine
SMILESCOP(=O)(CC(C)(C)NSC(C)(C)C)OC
InChIInChI=1S/C10H24NO3PS/c1-9(2,3)16-11-10(4,5)8-15(12,13-6)14-7/h11H,8H2,1-7H3
InChIKeyYINQXNMGFPHPBE-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine?
The IUPAC name of N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine (CID 58836465) is N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine.
What is the SMILES notation for N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine?
The canonical SMILES for N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine is COP(=O)(CC(C)(C)NSC(C)(C)C)OC.
What is the InChIKey of N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine?
The InChIKey is YINQXNMGFPHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO3PS/c1-9(2,3)16-11-10(4,5)8-15(12,13-6)14-7/h11H,8H2,1-7H3.
What are the key properties of N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine?
N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-1-dimethoxyphosphoryl-2-methylpropan-2-amine is sourced from PubChem (CID 58836465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).