N'-naphthalen-1-ylsulfanylmethanediamine

C11H12N2S — CID 142909426

IUPACN'-naphthalen-1-ylsulfanylmethanediamine
SMILESNCNSc1cccc2ccccc12
InChIInChI=1S/C11H12N2S/c12-8-13-14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8,12H2
InChIKeyGNMRUENHQIBKTC-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.35
Rot. Bonds3

About N'-naphthalen-1-ylsulfanylmethanediamine

N'-naphthalen-1-ylsulfanylmethanediamine (PubChem CID 142909426) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is N'-naphthalen-1-ylsulfanylmethanediamine.

Molecular Properties

Compound NameN'-naphthalen-1-ylsulfanylmethanediamine
PubChem CID142909426
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC NameN'-naphthalen-1-ylsulfanylmethanediamine
SMILESNCNSc1cccc2ccccc12
InChIInChI=1S/C11H12N2S/c12-8-13-14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8,12H2
InChIKeyGNMRUENHQIBKTC-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azanylidyne(naphthalen-1-yl)-λ4-sulfane
CID 158900561
naphthalen-1-yl thiohypofluorite
CID 142394158
1-diazoniosulfanylnaphthalene
CID 172863183
CID 135259743
CID 135259743
naphthalen-1-ylsulfanyl N-carbamoylcarbamate
CID 68502608
3-naphthalen-1-ylsulfanylbenzene-1,2-diol
CID 174889170
2-naphthalen-1-ylsulfanylacetaldehyde
CID 57268910
1-butan-2-ylsulfanylnaphthalene
CID 46892889
3-naphthalen-1-ylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 130434539
naphthalen-1-ylsulfanyl chlorate
CID 170558441
2-naphthalen-1-ylsulfanylnaphthalene-1-thiol
CID 57475542
Silane, 1-naphthalenyl-
CID 6327533

Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-1-ylsulfanylmethanediamine?
The IUPAC name of N'-naphthalen-1-ylsulfanylmethanediamine (CID 142909426) is N'-naphthalen-1-ylsulfanylmethanediamine.
What is the SMILES notation for N'-naphthalen-1-ylsulfanylmethanediamine?
The canonical SMILES for N'-naphthalen-1-ylsulfanylmethanediamine is NCNSc1cccc2ccccc12.
What is the InChIKey of N'-naphthalen-1-ylsulfanylmethanediamine?
The InChIKey is GNMRUENHQIBKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c12-8-13-14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8,12H2.
What are the key properties of N'-naphthalen-1-ylsulfanylmethanediamine?
N'-naphthalen-1-ylsulfanylmethanediamine has a molecular weight of 204.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-1-ylsulfanylmethanediamine is sourced from PubChem (CID 142909426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).