N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide

C11H21NO4S — CID 104520518

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H21NO4S/c1-8(2)9(7-13)12-11(14)10-5-3-4-6-17(10,15)16/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9-,10?/m1/s1
InChIKeyNZXSPEYPNRBZSF-YHMJZVADSA-N
MW263.36 g/mol
LogP0.09
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide (PubChem CID 104520518) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide
PubChem CID104520518
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H21NO4S/c1-8(2)9(7-13)12-11(14)10-5-3-4-6-17(10,15)16/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9-,10?/m1/s1
InChIKeyNZXSPEYPNRBZSF-YHMJZVADSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide (CID 104520518) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide is CC(C)[C@@H](CO)NC(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide?
The InChIKey is NZXSPEYPNRBZSF-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(2)9(7-13)12-11(14)10-5-3-4-6-17(10,15)16/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9-,10?/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104520518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).