N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide

C11H21NO3S — CID 97326446

IUPACN,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide
SMILESC[C@@H]1OCC[C@@H]1[S@@](=O)CCCC(=O)N(C)C
InChIInChI=1S/C11H21NO3S/c1-9-10(6-7-15-9)16(14)8-4-5-11(13)12(2)3/h9-10H,4-8H2,1-3H3/t9-,10-,16-/m0/s1
InChIKeyDUQTVUSOAFOWBH-PUTJDCORSA-N
MW247.36 g/mol
LogP0.78
Rot. Bonds5

About N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide

N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide (PubChem CID 97326446) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide
PubChem CID97326446
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide
SMILESC[C@@H]1OCC[C@@H]1[S@@](=O)CCCC(=O)N(C)C
InChIInChI=1S/C11H21NO3S/c1-9-10(6-7-15-9)16(14)8-4-5-11(13)12(2)3/h9-10H,4-8H2,1-3H3/t9-,10-,16-/m0/s1
InChIKeyDUQTVUSOAFOWBH-PUTJDCORSA-N
XLogP0.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide?
The IUPAC name of N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide (CID 97326446) is N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide?
The canonical SMILES for N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide is C[C@@H]1OCC[C@@H]1[S@@](=O)CCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide?
The InChIKey is DUQTVUSOAFOWBH-PUTJDCORSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9-10(6-7-15-9)16(14)8-4-5-11(13)12(2)3/h9-10H,4-8H2,1-3H3/t9-,10-,16-/m0/s1.
What are the key properties of N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide?
N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide has a molecular weight of 247.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(S)-[(2S,3S)-2-methyloxolan-3-yl]sulfinyl]butanamide is sourced from PubChem (CID 97326446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).