(10-oxoundecanoylamino)methanesulfonic acid

C12H23NO5S — CID 175775370

IUPAC(10-oxoundecanoylamino)methanesulfonic acid
SMILESCC(=O)CCCCCCCCC(=O)NCS(=O)(=O)O
InChIInChI=1S/C12H23NO5S/c1-11(14)8-6-4-2-3-5-7-9-12(15)13-10-19(16,17)18/h2-10H2,1H3,(H,13,15)(H,16,17,18)
InChIKeyJNTNBPIJQGILIG-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.66
Rot. Bonds11

About (10-oxoundecanoylamino)methanesulfonic acid

(10-oxoundecanoylamino)methanesulfonic acid (PubChem CID 175775370) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is (10-oxoundecanoylamino)methanesulfonic acid.

Molecular Properties

Compound Name(10-oxoundecanoylamino)methanesulfonic acid
PubChem CID175775370
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Name(10-oxoundecanoylamino)methanesulfonic acid
SMILESCC(=O)CCCCCCCCC(=O)NCS(=O)(=O)O
InChIInChI=1S/C12H23NO5S/c1-11(14)8-6-4-2-3-5-7-9-12(15)13-10-19(16,17)18/h2-10H2,1H3,(H,13,15)(H,16,17,18)
InChIKeyJNTNBPIJQGILIG-UHFFFAOYSA-N
XLogP1.66
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(10-oxoundecyl)dodecanamide
CID 171771299
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
12-oxo-N-propyltridecanamide
CID 135223938
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
N-butyl-7-oxooctanamide
CID 153419892
N-butyl-12-oxotridecanamide
CID 158110868
sodium (11-oxododecanoylamino)methyl sulfate
CID 175694995
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550
ethane;N-(6-oxoheptyl)butanamide
CID 143878068

Frequently Asked Questions

What is the IUPAC name of (10-oxoundecanoylamino)methanesulfonic acid?
The IUPAC name of (10-oxoundecanoylamino)methanesulfonic acid (CID 175775370) is (10-oxoundecanoylamino)methanesulfonic acid.
What is the SMILES notation for (10-oxoundecanoylamino)methanesulfonic acid?
The canonical SMILES for (10-oxoundecanoylamino)methanesulfonic acid is CC(=O)CCCCCCCCC(=O)NCS(=O)(=O)O.
What is the InChIKey of (10-oxoundecanoylamino)methanesulfonic acid?
The InChIKey is JNTNBPIJQGILIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-11(14)8-6-4-2-3-5-7-9-12(15)13-10-19(16,17)18/h2-10H2,1H3,(H,13,15)(H,16,17,18).
What are the key properties of (10-oxoundecanoylamino)methanesulfonic acid?
(10-oxoundecanoylamino)methanesulfonic acid has a molecular weight of 293.38 g/mol, XLogP of 1.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-oxoundecanoylamino)methanesulfonic acid is sourced from PubChem (CID 175775370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).