N-thionitrosopentan-1-amine

C5H12N2S — CID 87525507

IUPACN-thionitrosopentan-1-amine
SMILESCCCCCNN=S
InChIInChI=1S/C5H12N2S/c1-2-3-4-5-6-7-8/h2-5H2,1H3,(H,6,8)
InChIKeyRGIXYJNEJLTCEU-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.41
Rot. Bonds5

About N-thionitrosopentan-1-amine

N-thionitrosopentan-1-amine (PubChem CID 87525507) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is N-thionitrosopentan-1-amine.

Molecular Properties

Compound NameN-thionitrosopentan-1-amine
PubChem CID87525507
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameN-thionitrosopentan-1-amine
SMILESCCCCCNN=S
InChIInChI=1S/C5H12N2S/c1-2-3-4-5-6-7-8/h2-5H2,1H3,(H,6,8)
InChIKeyRGIXYJNEJLTCEU-UHFFFAOYSA-N
XLogP1.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-thionitrosohexan-1-amine
CID 88687267
N-oxidohexatriacontan-1-amine
CID 141154892
N-[(Z)-hexadecylideneamino]hexadecan-1-amine
CID 91745707
1-decyl-2-octylhydrazine
CID 154085192
N-pentylpentan-1-amine;hydrochloride
CID 520044
1,2-diheptylhydrazine
CID 11195547
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-thionitrosopentan-1-amine?
The IUPAC name of N-thionitrosopentan-1-amine (CID 87525507) is N-thionitrosopentan-1-amine.
What is the SMILES notation for N-thionitrosopentan-1-amine?
The canonical SMILES for N-thionitrosopentan-1-amine is CCCCCNN=S.
What is the InChIKey of N-thionitrosopentan-1-amine?
The InChIKey is RGIXYJNEJLTCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-2-3-4-5-6-7-8/h2-5H2,1H3,(H,6,8).
What are the key properties of N-thionitrosopentan-1-amine?
N-thionitrosopentan-1-amine has a molecular weight of 132.23 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-thionitrosopentan-1-amine is sourced from PubChem (CID 87525507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).