1-acetamido-5-[(sulfinoamino)methyl]naphthalene

C13H14N2O3S — CID 123248487

IUPAC1-acetamido-5-[(sulfinoamino)methyl]naphthalene
SMILESCC(=O)Nc1cccc2c(CNS(=O)O)cccc12
InChIInChI=1S/C13H14N2O3S/c1-9(16)15-13-7-3-5-11-10(8-14-19(17)18)4-2-6-12(11)13/h2-7,14H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyOHFVYTKFBCEVIZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.02
Rot. Bonds4

About 1-acetamido-5-[(sulfinoamino)methyl]naphthalene

1-acetamido-5-[(sulfinoamino)methyl]naphthalene (PubChem CID 123248487) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-acetamido-5-[(sulfinoamino)methyl]naphthalene.

Molecular Properties

Compound Name1-acetamido-5-[(sulfinoamino)methyl]naphthalene
PubChem CID123248487
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name1-acetamido-5-[(sulfinoamino)methyl]naphthalene
SMILESCC(=O)Nc1cccc2c(CNS(=O)O)cccc12
InChIInChI=1S/C13H14N2O3S/c1-9(16)15-13-7-3-5-11-10(8-14-19(17)18)4-2-6-12(11)13/h2-7,14H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyOHFVYTKFBCEVIZ-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-5-[(sulfinoamino)methyl]naphthalene
CID 67410527
1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene
CID 67383141
(2-acetamidophenyl)methanesulfinic acid
CID 135349764
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[5-[(2-chlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048605
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
2-(3-acetamido-2-methylphenyl)acetic acid
CID 84819235
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-5-[(sulfinoamino)methyl]naphthalene?
The IUPAC name of 1-acetamido-5-[(sulfinoamino)methyl]naphthalene (CID 123248487) is 1-acetamido-5-[(sulfinoamino)methyl]naphthalene.
What is the SMILES notation for 1-acetamido-5-[(sulfinoamino)methyl]naphthalene?
The canonical SMILES for 1-acetamido-5-[(sulfinoamino)methyl]naphthalene is CC(=O)Nc1cccc2c(CNS(=O)O)cccc12.
What is the InChIKey of 1-acetamido-5-[(sulfinoamino)methyl]naphthalene?
The InChIKey is OHFVYTKFBCEVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9(16)15-13-7-3-5-11-10(8-14-19(17)18)4-2-6-12(11)13/h2-7,14H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-acetamido-5-[(sulfinoamino)methyl]naphthalene?
1-acetamido-5-[(sulfinoamino)methyl]naphthalene has a molecular weight of 278.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-5-[(sulfinoamino)methyl]naphthalene is sourced from PubChem (CID 123248487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).