N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide

C10H22N2O3S — CID 94782598

IUPACN-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide
SMILESC[C@@H]1CN([C@@H](C)CNS(C)(=O)=O)C[C@H](C)O1
InChIInChI=1S/C10H22N2O3S/c1-8(5-11-16(4,13)14)12-6-9(2)15-10(3)7-12/h8-11H,5-7H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyQDMYPRKRRPHHSX-LPEHRKFASA-N
MW250.36 g/mol
LogP0.03
Rot. Bonds4

About N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide

N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide (PubChem CID 94782598) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide
PubChem CID94782598
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide
SMILESC[C@@H]1CN([C@@H](C)CNS(C)(=O)=O)C[C@H](C)O1
InChIInChI=1S/C10H22N2O3S/c1-8(5-11-16(4,13)14)12-6-9(2)15-10(3)7-12/h8-11H,5-7H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyQDMYPRKRRPHHSX-LPEHRKFASA-N
XLogP0.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide?
The IUPAC name of N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide (CID 94782598) is N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide is C[C@@H]1CN([C@@H](C)CNS(C)(=O)=O)C[C@H](C)O1.
What is the InChIKey of N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide?
The InChIKey is QDMYPRKRRPHHSX-LPEHRKFASA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-8(5-11-16(4,13)14)12-6-9(2)15-10(3)7-12/h8-11H,5-7H2,1-4H3/t8-,9-,10+/m0/s1.
What are the key properties of N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide?
N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide is sourced from PubChem (CID 94782598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).