1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene

C13H13N2O3S- — CID 57006009

IUPAC1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene
SMILESNC(=O)CCN(c1cccc2ccccc12)S(=O)[O-]
InChIInChI=1S/C13H14N2O3S/c14-13(16)8-9-15(19(17)18)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,14,16)(H,17,18)/p-1
InChIKeyGCYASAYMZRSGPU-UHFFFAOYSA-M
MW277.33 g/mol
LogP1.32
Rot. Bonds5

About 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene

1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene (PubChem CID 57006009) has the molecular formula C13H13N2O3S- and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene.

Molecular Properties

Compound Name1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene
PubChem CID57006009
Molecular FormulaC13H13N2O3S-
Molecular Weight277.33 g/mol
Exact Mass277.07
IUPAC Name1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene
SMILESNC(=O)CCN(c1cccc2ccccc12)S(=O)[O-]
InChIInChI=1S/C13H14N2O3S/c14-13(16)8-9-15(19(17)18)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,14,16)(H,17,18)/p-1
InChIKeyGCYASAYMZRSGPU-UHFFFAOYSA-M
XLogP1.32
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[carbamoyl(sulfinato)carbamoyl]naphthalene
CID 174669663
4-[[4-[1-amino-2-[naphthalen-1-yl(sulfinato)amino]ethyl]benzoyl]amino]pyridine
CID 68668615
2-[[1-carboxy-5-[naphthalen-1-yl(sulfinato)amino]pentyl]-sulfinatoamino]dibenzofuran
CID 57215711
hexanediamide;naphthalene
CID 175366237
1-naphthalen-1-yl-1-sulfamoylurea
CID 174809861
3-amino-1-methyl-1-naphthalen-1-ylurea
CID 115192586
1-naphthalen-1-yl-1-thionitrosourea
CID 142806020
3-[methylsulfonyl(naphthalen-1-yl)amino]propanoic acid
CID 50895842
hydrogen sulfite;naphthalen-1-amine
CID 174331156
N-hydroxy-N-naphthalen-1-ylbenzamide
CID 12512835
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene?
The IUPAC name of 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene (CID 57006009) is 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene.
What is the SMILES notation for 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene?
The canonical SMILES for 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene is NC(=O)CCN(c1cccc2ccccc12)S(=O)[O-].
What is the InChIKey of 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene?
The InChIKey is GCYASAYMZRSGPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14N2O3S/c14-13(16)8-9-15(19(17)18)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,14,16)(H,17,18)/p-1.
What are the key properties of 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene?
1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene has a molecular weight of 277.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-3-oxopropyl)-sulfinatoamino]naphthalene is sourced from PubChem (CID 57006009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).