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

C11H10INO2S — CID 67410527

IUPAC1-iodo-5-[(sulfinoamino)methyl]naphthalene
SMILESO=S(O)NCc1cccc2c(I)cccc12
InChIInChI=1S/C11H10INO2S/c12-11-6-2-4-9-8(7-13-16(14)15)3-1-5-10(9)11/h1-6,13H,7H2,(H,14,15)
InChIKeyTYAZFLZNMVHTGI-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.67
Rot. Bonds3

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

1-iodo-5-[(sulfinoamino)methyl]naphthalene (PubChem CID 67410527) has the molecular formula C11H10INO2S and a molecular weight of 347.18 g/mol. Its IUPAC name is 1-iodo-5-[(sulfinoamino)methyl]naphthalene.

Molecular Properties

Compound Name1-iodo-5-[(sulfinoamino)methyl]naphthalene
PubChem CID67410527
Molecular FormulaC11H10INO2S
Molecular Weight347.18 g/mol
Exact Mass346.95
IUPAC Name1-iodo-5-[(sulfinoamino)methyl]naphthalene
SMILESO=S(O)NCc1cccc2c(I)cccc12
InChIInChI=1S/C11H10INO2S/c12-11-6-2-4-9-8(7-13-16(14)15)3-1-5-10(9)11/h1-6,13H,7H2,(H,14,15)
InChIKeyTYAZFLZNMVHTGI-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-acetamido-5-[(sulfinoamino)methyl]naphthalene
CID 123248487
1-bromo-5-[(sulfinatoamino)methyl]naphthalene
CID 67383098
(5-iodonaphthalen-1-yl) hydrogen sulfite
CID 174380050
1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene
CID 67383141
5-[2-(4-iodoanilino)-2-oxoethyl]naphthalene-1-sulfinic acid
CID 978566
5-bromo-3-[(sulfinoamino)methyl]-1-benzothiophene
CID 68984698
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
5-iodo-2-methylisoquinolin-1-one
CID 70267311
N-[(2-iodophenyl)methyl]ethanamine
CID 15639059
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene
CID 67409921
(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
CID 120526942

Frequently Asked Questions

What is the IUPAC name of 1-iodo-5-[(sulfinoamino)methyl]naphthalene?
The IUPAC name of 1-iodo-5-[(sulfinoamino)methyl]naphthalene (CID 67410527) is 1-iodo-5-[(sulfinoamino)methyl]naphthalene.
What is the SMILES notation for 1-iodo-5-[(sulfinoamino)methyl]naphthalene?
The canonical SMILES for 1-iodo-5-[(sulfinoamino)methyl]naphthalene is O=S(O)NCc1cccc2c(I)cccc12.
What is the InChIKey of 1-iodo-5-[(sulfinoamino)methyl]naphthalene?
The InChIKey is TYAZFLZNMVHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO2S/c12-11-6-2-4-9-8(7-13-16(14)15)3-1-5-10(9)11/h1-6,13H,7H2,(H,14,15).
What are the key properties of 1-iodo-5-[(sulfinoamino)methyl]naphthalene?
1-iodo-5-[(sulfinoamino)methyl]naphthalene has a molecular weight of 347.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-5-[(sulfinoamino)methyl]naphthalene is sourced from PubChem (CID 67410527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).