potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate

C11H24KN3O6S — CID 131888727

IUPACpotassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate
SMILESCN(CC(O)CNS(=O)(=O)[O-])CC(O)CN1CCOCC1.[K+]
InChIInChI=1S/C11H25N3O6S.K/c1-13(7-10(15)6-12-21(17,18)19)8-11(16)9-14-2-4-20-5-3-14;/h10-12,15-16H,2-9H2,1H3,(H,17,18,19);/q;+1/p-1
InChIKeyCGJQRIQGBHFJMO-UHFFFAOYSA-M
MW365.49 g/mol
LogP-5.97
Rot. Bonds9

About potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate

potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate (PubChem CID 131888727) has the molecular formula C11H24KN3O6S and a molecular weight of 365.49 g/mol. Its IUPAC name is potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate.

Molecular Properties

Compound Namepotassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate
PubChem CID131888727
Molecular FormulaC11H24KN3O6S
Molecular Weight365.49 g/mol
Exact Mass365.10
IUPAC Namepotassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate
SMILESCN(CC(O)CNS(=O)(=O)[O-])CC(O)CN1CCOCC1.[K+]
InChIInChI=1S/C11H25N3O6S.K/c1-13(7-10(15)6-12-21(17,18)19)8-11(16)9-14-2-4-20-5-3-14;/h10-12,15-16H,2-9H2,1H3,(H,17,18,19);/q;+1/p-1
InChIKeyCGJQRIQGBHFJMO-UHFFFAOYSA-M
XLogP-5.97
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 5-5.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 78833549
1-[methyl(2-methylprop-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 71859849
1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916497
1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916407
1-[methyl(3,3,3-trifluoropropyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110905333
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 78874200
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide
CID 97029637

Frequently Asked Questions

What is the IUPAC name of potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate?
The IUPAC name of potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate (CID 131888727) is potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate.
What is the SMILES notation for potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate?
The canonical SMILES for potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate is CN(CC(O)CNS(=O)(=O)[O-])CC(O)CN1CCOCC1.[K+].
What is the InChIKey of potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate?
The InChIKey is CGJQRIQGBHFJMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H25N3O6S.K/c1-13(7-10(15)6-12-21(17,18)19)8-11(16)9-14-2-4-20-5-3-14;/h10-12,15-16H,2-9H2,1H3,(H,17,18,19);/q;+1/p-1.
What are the key properties of potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate?
potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate has a molecular weight of 365.49 g/mol, XLogP of -5.97, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate is sourced from PubChem (CID 131888727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).