1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene

C12H13N2O2S- — CID 67383141

IUPAC1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene
SMILESCNc1cccc2c(CNS(=O)[O-])cccc12
InChIInChI=1S/C12H14N2O2S/c1-13-12-7-3-5-10-9(8-14-17(15)16)4-2-6-11(10)12/h2-7,13-14H,8H2,1H3,(H,15,16)/p-1
InChIKeyCQVNQDVPJANANT-UHFFFAOYSA-M
MW249.31 g/mol
LogP1.77
Rot. Bonds4

About 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene

1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene (PubChem CID 67383141) has the molecular formula C12H13N2O2S- and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene.

Molecular Properties

Compound Name1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene
PubChem CID67383141
Molecular FormulaC12H13N2O2S-
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene
SMILESCNc1cccc2c(CNS(=O)[O-])cccc12
InChIInChI=1S/C12H14N2O2S/c1-13-12-7-3-5-10-9(8-14-17(15)16)4-2-6-11(10)12/h2-7,13-14H,8H2,1H3,(H,15,16)/p-1
InChIKeyCQVNQDVPJANANT-UHFFFAOYSA-M
XLogP1.77
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-5-[(sulfinatoamino)methyl]naphthalene
CID 67383098
ethane;5-ethyl-N-methylnaphthalen-1-amine
CID 143402697
1-amino-3-(methylamino)-2-[(sulfinatoamino)methyl]benzene
CID 89128026
1-acetamido-5-[(sulfinoamino)methyl]naphthalene
CID 123248487
[2-(methylamino)phenyl]methanesulfinate
CID 130412847
1-methoxycarbonyl-2-[(sulfinatoamino)methyl]benzene
CID 66757222
1-iodo-5-[(sulfinoamino)methyl]naphthalene
CID 67410527
5-(methylamino)naphthalene-1-carbaldehyde
CID 143192370
2-[2-methoxy-3-(methylamino)phenyl]-N,N-dimethylacetamide
CID 166541108
N-methyl-2-(methylaminomethyl)aniline
CID 576504
[5-(methylamino)naphthalen-1-yl]boronic acid
CID 86235248
4-butyl-N-methylnaphthalen-1-amine
CID 174691031

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene?
The IUPAC name of 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene (CID 67383141) is 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene.
What is the SMILES notation for 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene?
The canonical SMILES for 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene is CNc1cccc2c(CNS(=O)[O-])cccc12.
What is the InChIKey of 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene?
The InChIKey is CQVNQDVPJANANT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N2O2S/c1-13-12-7-3-5-10-9(8-14-17(15)16)4-2-6-11(10)12/h2-7,13-14H,8H2,1H3,(H,15,16)/p-1.
What are the key properties of 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene?
1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene has a molecular weight of 249.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-5-[(sulfinatoamino)methyl]naphthalene is sourced from PubChem (CID 67383141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).