(1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine

C11H21NOS — CID 142537443

IUPAC(1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine
SMILESC[C@@H](NSC(C)(C)C)[C@@H]1CCC=CO1
InChIInChI=1S/C11H21NOS/c1-9(12-14-11(2,3)4)10-7-5-6-8-13-10/h6,8-10,12H,5,7H2,1-4H3/t9-,10+/m1/s1
InChIKeyZKDBRYYLBMDDGG-ZJUUUORDSA-N
MW215.36 g/mol
LogP3.10
Rot. Bonds3

About (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine

(1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine (PubChem CID 142537443) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine
PubChem CID142537443
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name(1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine
SMILESC[C@@H](NSC(C)(C)C)[C@@H]1CCC=CO1
InChIInChI=1S/C11H21NOS/c1-9(12-14-11(2,3)4)10-7-5-6-8-13-10/h6,8-10,12H,5,7H2,1-4H3/t9-,10+/m1/s1
InChIKeyZKDBRYYLBMDDGG-ZJUUUORDSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine?
The IUPAC name of (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine (CID 142537443) is (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine.
What is the SMILES notation for (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine?
The canonical SMILES for (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine is C[C@@H](NSC(C)(C)C)[C@@H]1CCC=CO1.
What is the InChIKey of (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine?
The InChIKey is ZKDBRYYLBMDDGG-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9(12-14-11(2,3)4)10-7-5-6-8-13-10/h6,8-10,12H,5,7H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine?
(1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine has a molecular weight of 215.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine is sourced from PubChem (CID 142537443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).