N-(2-butylsulfanylethylidene)hydroxylamine

C6H13NOS — CID 173455901

IUPACN-(2-butylsulfanylethylidene)hydroxylamine
SMILESCCCCSCC=NO
InChIInChI=1S/C6H13NOS/c1-2-3-5-9-6-4-7-8/h4,8H,2-3,5-6H2,1H3
InChIKeyYGUGFAWACQBQDE-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds5

About N-(2-butylsulfanylethylidene)hydroxylamine

N-(2-butylsulfanylethylidene)hydroxylamine (PubChem CID 173455901) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(2-butylsulfanylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-butylsulfanylethylidene)hydroxylamine
PubChem CID173455901
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(2-butylsulfanylethylidene)hydroxylamine
SMILESCCCCSCC=NO
InChIInChI=1S/C6H13NOS/c1-2-3-5-9-6-4-7-8/h4,8H,2-3,5-6H2,1H3
InChIKeyYGUGFAWACQBQDE-UHFFFAOYSA-N
XLogP1.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-butylsulfanylethylidene)hydroxylamine 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

4-Methylthiobutanaldoxime
CID 25010747
(E)-6-(methylsulfanyl)hexanal oxime
CID 25010756
(E)-5-(methylsulfanyl)pentanal oxime
CID 25010757
5-(Methylthio)pentanal oxime
CID 74388162
6-(Methylsulfanyl)hexanal oxime
CID 74388161
4-(Methylsulfanyl)butanal oxime
CID 25200725
1-(Methylsulfanyl)-5-aci-nitropentane
CID 123131515
1-(Methylsulfanyl)-4-aci-nitrobutane
CID 123131522
3-(Methylsulfanyl)propanal oxime
CID 73200680
3-Ethyl-thiopropanal oxime
CID 129814343
(NE)-N-[2-[(2E)-2-hydroxyiminoethyl]sulfanylethylidene]hydroxylamine
CID 13215600
(NE)-N-(2-methylsulfanylpropylidene)hydroxylamine
CID 21317809

Frequently Asked Questions

What is the IUPAC name of N-(2-butylsulfanylethylidene)hydroxylamine?
The IUPAC name of N-(2-butylsulfanylethylidene)hydroxylamine (CID 173455901) is N-(2-butylsulfanylethylidene)hydroxylamine.
What is the SMILES notation for N-(2-butylsulfanylethylidene)hydroxylamine?
The canonical SMILES for N-(2-butylsulfanylethylidene)hydroxylamine is CCCCSCC=NO.
What is the InChIKey of N-(2-butylsulfanylethylidene)hydroxylamine?
The InChIKey is YGUGFAWACQBQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-3-5-9-6-4-7-8/h4,8H,2-3,5-6H2,1H3.
What are the key properties of N-(2-butylsulfanylethylidene)hydroxylamine?
N-(2-butylsulfanylethylidene)hydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylsulfanylethylidene)hydroxylamine is sourced from PubChem (CID 173455901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).