N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide

C12H27N3O3S — CID 59024764

IUPACN-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide
SMILESCN[C@@H](CN(C)S(=O)(=O)N1CCOCC1)C(C)(C)C
InChIInChI=1S/C12H27N3O3S/c1-12(2,3)11(13-4)10-14(5)19(16,17)15-6-8-18-9-7-15/h11,13H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyVPOZVXWMYMVYCB-NSHDSACASA-N
MW293.43 g/mol
LogP0.13
Rot. Bonds5

About N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide

N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide (PubChem CID 59024764) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide
PubChem CID59024764
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide
SMILESCN[C@@H](CN(C)S(=O)(=O)N1CCOCC1)C(C)(C)C
InChIInChI=1S/C12H27N3O3S/c1-12(2,3)11(13-4)10-14(5)19(16,17)15-6-8-18-9-7-15/h11,13H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyVPOZVXWMYMVYCB-NSHDSACASA-N
XLogP0.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate
CID 54940579
2-[2-methylpropyl(morpholin-4-ylsulfonyl)amino]acetic acid
CID 62033516
N,N-bis(trimethylsilyl)morpholine-4-sulfonamide
CID 71399815
N-(2-hydroxyethyl)-N-propan-2-ylmorpholine-4-sulfonamide
CID 43574633
N-(2-hydroxypropyl)-N-methylpiperidine-1-sulfonamide
CID 62333146
N-methyl-N-(piperidin-2-ylmethyl)morpholine-4-sulfonamide
CID 106630410
N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide
CID 80671423
1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 146134201
N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine
CID 15914536
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
N-methyl-2-morpholin-4-ylsulfonylethanamine
CID 59686763

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide?
The IUPAC name of N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide (CID 59024764) is N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide?
The canonical SMILES for N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide is CN[C@@H](CN(C)S(=O)(=O)N1CCOCC1)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide?
The InChIKey is VPOZVXWMYMVYCB-NSHDSACASA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-12(2,3)11(13-4)10-14(5)19(16,17)15-6-8-18-9-7-15/h11,13H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide?
N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 59024764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).