N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine

C15H31NOS — CID 3258367

IUPACN-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
SMILESCCCCCCCCCCSC(C)(C)C(C)=NO
InChIInChI=1S/C15H31NOS/c1-5-6-7-8-9-10-11-12-13-18-15(3,4)14(2)16-17/h17H,5-13H2,1-4H3
InChIKeyVUZFMZXPOIYKFT-UHFFFAOYSA-N
MW273.49 g/mol
LogP5.49
Rot. Bonds11

About N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine

N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine (PubChem CID 3258367) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
PubChem CID3258367
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC NameN-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine
SMILESCCCCCCCCCCSC(C)(C)C(C)=NO
InChIInChI=1S/C15H31NOS/c1-5-6-7-8-9-10-11-12-13-18-15(3,4)14(2)16-17/h17H,5-13H2,1-4H3
InChIKeyVUZFMZXPOIYKFT-UHFFFAOYSA-N
XLogP5.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.49
LogP ≤ 55.49
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-(3-decylsulfanyl-3-methylbutan-2-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

Related Compounds

2-ethyl-3,6-dimethyltetrahydro-4H-thiopyran-4-one oxime
CID 6391852
(NE)-N-(2-methylsulfanylcyclooctylidene)hydroxylamine
CID 12447280
3-[(Hexylsulfanyl)methyl]pentane-2,4-dione dioxime
CID 134158555
(NZ)-N-(1-heptylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035421
(Z)-2-ethyl-3,6-dimethyldihydro-2H-thiopyran-4(3H)-one oxime
CID 5718756
2-(Ethylthio)cyclooctanone oxime
CID 9602636
N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 85805064
(NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88779399
N-[2-(4-methylpentan-2-yl)thiolan-3-ylidene]hydroxylamine
CID 139877771
(NE)-N-(2-methylsulfanylcyclododecylidene)hydroxylamine
CID 141118454
N-[3-(ethylsulfanylmethylsulfanyl)undecan-2-ylidene]hydroxylamine
CID 173356519
N-(2-ethyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 174345765

Frequently Asked Questions

What is the IUPAC name of N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine (CID 3258367) is N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine is CCCCCCCCCCSC(C)(C)C(C)=NO.
What is the InChIKey of N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine?
The InChIKey is VUZFMZXPOIYKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-5-6-7-8-9-10-11-12-13-18-15(3,4)14(2)16-17/h17H,5-13H2,1-4H3.
What are the key properties of N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine?
N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine has a molecular weight of 273.49 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-decylsulfanyl-3-methylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 3258367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).