N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide

C9H19F2N3O3S — CID 114384138

IUPACN-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(F)(F)CN)CC(C)O1
InChIInChI=1S/C9H19F2N3O3S/c1-7-3-14(4-8(2)17-7)18(15,16)13-6-9(10,11)5-12/h7-8,13H,3-6,12H2,1-2H3
InChIKeyQVLKAGPAWWXYQH-UHFFFAOYSA-N
MW287.33 g/mol
LogP-0.48
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 114384138) has the molecular formula C9H19F2N3O3S and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID114384138
Molecular FormulaC9H19F2N3O3S
Molecular Weight287.33 g/mol
Exact Mass287.11
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCC(F)(F)CN)CC(C)O1
InChIInChI=1S/C9H19F2N3O3S/c1-7-3-14(4-8(2)17-7)18(15,16)13-6-9(10,11)5-12/h7-8,13H,3-6,12H2,1-2H3
InChIKeyQVLKAGPAWWXYQH-UHFFFAOYSA-N
XLogP-0.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide
CID 63194672
N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 55167597
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 64911850
(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 94607055
N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 115309357
3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 64671370
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
CID 42936366
N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120715648
(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124670346

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 114384138) is N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCC(F)(F)CN)CC(C)O1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is QVLKAGPAWWXYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N3O3S/c1-7-3-14(4-8(2)17-7)18(15,16)13-6-9(10,11)5-12/h7-8,13H,3-6,12H2,1-2H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 287.33 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 114384138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).