3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide

C13H24N4O4S — CID 132971383

IUPAC3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C13H24N4O4S/c1-9(2)7-17-4-5-20-11(8-17)6-15-22(18,19)12-10(3)21-16-13(12)14/h9,11,15H,4-8H2,1-3H3,(H2,14,16)
InChIKeyKZDOPCTYKCBOSQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP0.20
Rot. Bonds6

About 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide

3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 132971383) has the molecular formula C13H24N4O4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID132971383
Molecular FormulaC13H24N4O4S
Molecular Weight332.43 g/mol
Exact Mass332.15
IUPAC Name3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C13H24N4O4S/c1-9(2)7-17-4-5-20-11(8-17)6-15-22(18,19)12-10(3)21-16-13(12)14/h9,11,15H,4-8H2,1-3H3,(H2,14,16)
InChIKeyKZDOPCTYKCBOSQ-UHFFFAOYSA-N
XLogP0.20
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 39656758
2-fluoro-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 42960735
1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide
CID 55573428
4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 136523526
2-[[bis(3-methylbutyl)sulfamoylamino]methyl]-4-(2-methylpropyl)morpholine
CID 55989548
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 33487347
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35365201
3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106085721
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 114399151

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide (CID 132971383) is 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide is Cc1onc(N)c1S(=O)(=O)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is KZDOPCTYKCBOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4S/c1-9(2)7-17-4-5-20-11(8-17)6-15-22(18,19)12-10(3)21-16-13(12)14/h9,11,15H,4-8H2,1-3H3,(H2,14,16).
What are the key properties of 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide?
3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 132971383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).