(2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide

C9H20N2O3S — CID 51946497

IUPAC(2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyXYVINBFQYYSZBX-VIFPVBQESA-N
MW236.34 g/mol
LogP0.29
Rot. Bonds3

About (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide

(2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide (PubChem CID 51946497) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
PubChem CID51946497
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name(2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyXYVINBFQYYSZBX-VIFPVBQESA-N
XLogP0.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide?
The IUPAC name of (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide (CID 51946497) is (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide.
What is the SMILES notation for (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide?
The canonical SMILES for (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide?
The InChIKey is XYVINBFQYYSZBX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide?
(2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide is sourced from PubChem (CID 51946497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).