sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate

C7H16N3NaO7S2 — CID 158035889

IUPACsodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate
SMILESO=S(=O)(O)NC1CC1.O=S(=O)([O-])NN1CCOCC1.[Na+]
InChIInChI=1S/C4H10N2O4S.C3H7NO3S.Na/c7-11(8,9)5-6-1-3-10-4-2-6;5-8(6,7)4-3-1-2-3;/h5H,1-4H2,(H,7,8,9);3-4H,1-2H2,(H,5,6,7);/q;;+1/p-1
InChIKeyFHSVLHDUDFUKRK-UHFFFAOYSA-M
MW341.34 g/mol
LogP-5.17
Rot. Bonds4

About sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate

sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate (PubChem CID 158035889) has the molecular formula C7H16N3NaO7S2 and a molecular weight of 341.34 g/mol. Its IUPAC name is sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate.

Molecular Properties

Compound Namesodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate
PubChem CID158035889
Molecular FormulaC7H16N3NaO7S2
Molecular Weight341.34 g/mol
Exact Mass341.03
IUPAC Namesodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate
SMILESO=S(=O)(O)NC1CC1.O=S(=O)([O-])NN1CCOCC1.[Na+]
InChIInChI=1S/C4H10N2O4S.C3H7NO3S.Na/c7-11(8,9)5-6-1-3-10-4-2-6;5-8(6,7)4-3-1-2-3;/h5H,1-4H2,(H,7,8,9);3-4H,1-2H2,(H,5,6,7);/q;;+1/p-1
InChIKeyFHSVLHDUDFUKRK-UHFFFAOYSA-M
XLogP-5.17
TPSA148.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 5-5.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 67466393
CID 67466393
disodium;N-[4-(sulfonatoamino)cyclohexyl]sulfamate
CID 101095767
(3-methylcyclopentyl)sulfamic acid
CID 19748602
cyclopentylsulfamic acid
CID 21123026
cyclononylsulfamic acid
CID 67135870
N-morpholin-4-ylpropane-1-sulfonamide
CID 70064239
N-[4-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 112752969
cyclohexylsulfamic acid;hydrochloride
CID 67875894
CID 68761393
CID 68761393
N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide
CID 83025778
1-(morpholin-4-ylsulfamoyl)piperidine-2-carboxylic acid
CID 83005622
1-(cyclopropanecarbonyl)-2-methyl-N-morpholin-4-yl-2,3-dihydroindole-5-sulfonamide
CID 6624196

Frequently Asked Questions

What is the IUPAC name of sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate?
The IUPAC name of sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate (CID 158035889) is sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate.
What is the SMILES notation for sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate?
The canonical SMILES for sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate is O=S(=O)(O)NC1CC1.O=S(=O)([O-])NN1CCOCC1.[Na+].
What is the InChIKey of sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate?
The InChIKey is FHSVLHDUDFUKRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O4S.C3H7NO3S.Na/c7-11(8,9)5-6-1-3-10-4-2-6;5-8(6,7)4-3-1-2-3;/h5H,1-4H2,(H,7,8,9);3-4H,1-2H2,(H,5,6,7);/q;;+1/p-1.
What are the key properties of sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate?
sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate has a molecular weight of 341.34 g/mol, XLogP of -5.17, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyclopropylsulfamic acid;N-morpholin-4-ylsulfamate is sourced from PubChem (CID 158035889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).