methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene

C15H21NO6S — CID 157087220

IUPACmethanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene
SMILESCN.COC(=O)OCCS(=O)(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H8O6S.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-9-4(5)10-2-3-11(6,7)8;1-2/h1-8H;2-3H2,1H3,(H,6,7,8);2H2,1H3
InChIKeyAEFQIZYOUDUVCJ-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.07
Rot. Bonds3

About methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene

methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene (PubChem CID 157087220) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene.

Molecular Properties

Compound Namemethanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene
PubChem CID157087220
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Namemethanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene
SMILESCN.COC(=O)OCCS(=O)(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H8O6S.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-9-4(5)10-2-3-11(6,7)8;1-2/h1-8H;2-3H2,1H3,(H,6,7,8);2H2,1H3
InChIKeyAEFQIZYOUDUVCJ-UHFFFAOYSA-N
XLogP2.07
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanamine;methanesulfonic acid;methanol;naphthalene
CID 91220007
2-(2-anilinoacetyl)oxyethanesulfonic acid
CID 129061862
methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate
CID 155022771
methanamine;3-methoxypropane-1-sulfonic acid;quinoline
CID 158749423
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
2-(2-octoxycarbonylbenzoyl)oxyethanesulfonic acid
CID 101304628
sodium;hydride;methanesulfonic acid;naphthalene
CID 174430944
2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid
CID 121308516
naphthalene;sulfamic acid
CID 67895351
CID 172829845
CID 172829845
naphthalene;sulfuric acid
CID 69493753
methyl (4-oxo-4-phenylbutyl) carbonate
CID 173003844

Frequently Asked Questions

What is the IUPAC name of methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene?
The IUPAC name of methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene (CID 157087220) is methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene.
What is the SMILES notation for methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene?
The canonical SMILES for methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene is CN.COC(=O)OCCS(=O)(=O)O.c1ccc2ccccc2c1.
What is the InChIKey of methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene?
The InChIKey is AEFQIZYOUDUVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C4H8O6S.CH5N/c1-2-6-10-8-4-3-7-9(10)5-1;1-9-4(5)10-2-3-11(6,7)8;1-2/h1-8H;2-3H2,1H3,(H,6,7,8);2H2,1H3.
What are the key properties of methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene?
methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene has a molecular weight of 343.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methoxycarbonyloxyethanesulfonic acid;naphthalene is sourced from PubChem (CID 157087220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).