N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide

C10H22N2O3S — CID 42936366

IUPACN-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
SMILESCCC(C)NS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H22N2O3S/c1-5-8(2)11-16(13,14)12-6-9(3)15-10(4)7-12/h8-11H,5-7H2,1-4H3
InChIKeyLJYZKKVACLBWJO-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.73
Rot. Bonds4

About N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide

N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 42936366) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID42936366
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
SMILESCCC(C)NS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H22N2O3S/c1-5-8(2)11-16(13,14)12-6-9(3)15-10(4)7-12/h8-11H,5-7H2,1-4H3
InChIKeyLJYZKKVACLBWJO-UHFFFAOYSA-N
XLogP0.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
N-(1-hydroxybutan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43501588
(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 79010860
(2S,6S)-2,6-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-sulfonamide
CID 100845308
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]hexanoic acid
CID 43470083
N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 64911850
N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 55167597
(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 94607055
(2R,6R)-2,6-dimethyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]morpholine-4-sulfonamide
CID 51930251
2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
CID 55621415

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide (CID 42936366) is N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide is CCC(C)NS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is LJYZKKVACLBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-5-8(2)11-16(13,14)12-6-9(3)15-10(4)7-12/h8-11H,5-7H2,1-4H3.
What are the key properties of N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide?
N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 42936366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).