N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide

C12H24N2O4S — CID 110348790

IUPACN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H](C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-4-9-19(16,17)13-11(10(2)3)12(15)14-5-7-18-8-6-14/h10-11,13H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyJMDQCISXHHSVIA-NSHDSACASA-N
MW292.40 g/mol
LogP0.20
Rot. Bonds6

About N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide

N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide (PubChem CID 110348790) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide
PubChem CID110348790
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H](C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-4-9-19(16,17)13-11(10(2)3)12(15)14-5-7-18-8-6-14/h10-11,13H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyJMDQCISXHHSVIA-NSHDSACASA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide (CID 110348790) is N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@H](C(=O)N1CCOCC1)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide?
The InChIKey is JMDQCISXHHSVIA-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-9-19(16,17)13-11(10(2)3)12(15)14-5-7-18-8-6-14/h10-11,13H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide?
N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 110348790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).