N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide

C11H21NO3S — CID 142537529

IUPACN-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](CO)[C@@H]1CCC=CO1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)16(14)12-9(8-13)10-6-4-5-7-15-10/h5,7,9-10,12-13H,4,6,8H2,1-3H3/t9-,10-,16?/m0/s1
InChIKeyHBLXSMQGYFLYQZ-VLVWQGGMSA-N
MW247.36 g/mol
LogP1.09
Rot. Bonds4

About N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide (PubChem CID 142537529) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
PubChem CID142537529
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](CO)[C@@H]1CCC=CO1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)16(14)12-9(8-13)10-6-4-5-7-15-10/h5,7,9-10,12-13H,4,6,8H2,1-3H3/t9-,10-,16?/m0/s1
InChIKeyHBLXSMQGYFLYQZ-VLVWQGGMSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide (CID 142537529) is N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](CO)[C@@H]1CCC=CO1.
What is the InChIKey of N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HBLXSMQGYFLYQZ-VLVWQGGMSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2,3)16(14)12-9(8-13)10-6-4-5-7-15-10/h5,7,9-10,12-13H,4,6,8H2,1-3H3/t9-,10-,16?/m0/s1.
What are the key properties of N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 247.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-hydroxyethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 142537529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).