(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide

C13H26N2O4S — CID 95280186

IUPAC(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NCCCOCC2CC2)C[C@@H](C)O1
InChIInChI=1S/C13H26N2O4S/c1-11-8-15(9-12(2)19-11)20(16,17)14-6-3-7-18-10-13-4-5-13/h11-14H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyMQSLICUULJYTFQ-VXGBXAGGSA-N
MW306.43 g/mol
LogP0.75
Rot. Bonds8

About (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide

(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 95280186) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID95280186
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)NCCCOCC2CC2)C[C@@H](C)O1
InChIInChI=1S/C13H26N2O4S/c1-11-8-15(9-12(2)19-11)20(16,17)14-6-3-7-18-10-13-4-5-13/h11-14H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyMQSLICUULJYTFQ-VXGBXAGGSA-N
XLogP0.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide
CID 113258257
(2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124628988
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
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
CID 94171929
(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51946091
N-[3-(cyclopropylmethoxy)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 38257447
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
CID 106304904
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride
CID 120720986

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 95280186) is (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)NCCCOCC2CC2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is MQSLICUULJYTFQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-11-8-15(9-12(2)19-11)20(16,17)14-6-3-7-18-10-13-4-5-13/h11-14H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 95280186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).