(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide

C14H31N3O3S — CID 94607055

IUPAC(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(C)N(CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C
InChIInChI=1S/C14H31N3O3S/c1-11(2)17(12(3)4)8-7-15-21(18,19)16-9-13(5)20-14(6)10-16/h11-15H,7-10H2,1-6H3/t13-,14-/m0/s1
InChIKeyGKPBOUBJULFAOC-KBPBESRZSA-N
MW321.49 g/mol
LogP1.05
Rot. Bonds7

About (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide

(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 94607055) has the molecular formula C14H31N3O3S and a molecular weight of 321.49 g/mol. Its IUPAC name is (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID94607055
Molecular FormulaC14H31N3O3S
Molecular Weight321.49 g/mol
Exact Mass321.21
IUPAC Name(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(C)N(CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C
InChIInChI=1S/C14H31N3O3S/c1-11(2)17(12(3)4)8-7-15-21(18,19)16-9-13(5)20-14(6)10-16/h11-15H,7-10H2,1-6H3/t13-,14-/m0/s1
InChIKeyGKPBOUBJULFAOC-KBPBESRZSA-N
XLogP1.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 64911850
N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 55167597
N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
CID 42936366
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide
CID 113258257
(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 95280186
2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
CID 55621415
N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120715648
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-N-propylacetamide
CID 47141080

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 94607055) is (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide is CC(C)N(CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C.
What is the InChIKey of (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is GKPBOUBJULFAOC-KBPBESRZSA-N. The full InChI is InChI=1S/C14H31N3O3S/c1-11(2)17(12(3)4)8-7-15-21(18,19)16-9-13(5)20-14(6)10-16/h11-15H,7-10H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 321.49 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 94607055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).