N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine

C8H17NOS — CID 88841882

IUPACN-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine
SMILESCSC(C)C(=NO)C(C)(C)C
InChIInChI=1S/C8H17NOS/c1-6(11-5)7(9-10)8(2,3)4/h6,10H,1-5H3
InChIKeyAWMGRLUZSHCNJL-UHFFFAOYSA-N
MW175.30 g/mol
LogP2.61
Rot. Bonds2

About N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine

N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine (PubChem CID 88841882) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine
PubChem CID88841882
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine
SMILESCSC(C)C(=NO)C(C)(C)C
InChIInChI=1S/C8H17NOS/c1-6(11-5)7(9-10)8(2,3)4/h6,10H,1-5H3
InChIKeyAWMGRLUZSHCNJL-UHFFFAOYSA-N
XLogP2.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine?
The IUPAC name of N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine (CID 88841882) is N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine is CSC(C)C(=NO)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine?
The InChIKey is AWMGRLUZSHCNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6(11-5)7(9-10)8(2,3)4/h6,10H,1-5H3.
What are the key properties of N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine?
N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine has a molecular weight of 175.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-methylsulfanylpentan-3-ylidene)hydroxylamine is sourced from PubChem (CID 88841882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).