N-pentylsulfanylhydroxylamine

C5H13NOS — CID 88662679

IUPACN-pentylsulfanylhydroxylamine
SMILESCCCCCSNO
InChIInChI=1S/C5H13NOS/c1-2-3-4-5-8-6-7/h6-7H,2-5H2,1H3
InChIKeyULZKDSIIRQFLBQ-UHFFFAOYSA-N
MW135.23 g/mol
LogP1.80
Rot. Bonds5

About N-pentylsulfanylhydroxylamine

N-pentylsulfanylhydroxylamine (PubChem CID 88662679) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is N-pentylsulfanylhydroxylamine.

Molecular Properties

Compound NameN-pentylsulfanylhydroxylamine
PubChem CID88662679
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameN-pentylsulfanylhydroxylamine
SMILESCCCCCSNO
InChIInChI=1S/C5H13NOS/c1-2-3-4-5-8-6-7/h6-7H,2-5H2,1H3
InChIKeyULZKDSIIRQFLBQ-UHFFFAOYSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-pentylsulfanylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propylsulfanylhydroxylamine
CID 122643605
N-heptylsulfanylethanamine
CID 167262676
N-undecylsulfanylethanamine
CID 21248622
dodecylsulfanylcarbamic acid
CID 88625409
S-octylthiohydroxylamine
CID 130279962
1-hexylsulfanyltetradecane
CID 87077491
1-hexylsulfanyloctane
CID 15742910
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of N-pentylsulfanylhydroxylamine?
The IUPAC name of N-pentylsulfanylhydroxylamine (CID 88662679) is N-pentylsulfanylhydroxylamine.
What is the SMILES notation for N-pentylsulfanylhydroxylamine?
The canonical SMILES for N-pentylsulfanylhydroxylamine is CCCCCSNO.
What is the InChIKey of N-pentylsulfanylhydroxylamine?
The InChIKey is ULZKDSIIRQFLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-2-3-4-5-8-6-7/h6-7H,2-5H2,1H3.
What are the key properties of N-pentylsulfanylhydroxylamine?
N-pentylsulfanylhydroxylamine has a molecular weight of 135.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylsulfanylhydroxylamine is sourced from PubChem (CID 88662679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).