N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine

C4H9NOS2 — CID 21163193

IUPACN-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine
SMILESCC1CSC(NO)S1
InChIInChI=1S/C4H9NOS2/c1-3-2-7-4(5-6)8-3/h3-6H,2H2,1H3
InChIKeyUGWVWBLKIBQUBK-UHFFFAOYSA-N
MW151.26 g/mol
LogP1.12
Rot. Bonds1

About N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine

N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine (PubChem CID 21163193) has the molecular formula C4H9NOS2 and a molecular weight of 151.26 g/mol. Its IUPAC name is N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine
PubChem CID21163193
Molecular FormulaC4H9NOS2
Molecular Weight151.26 g/mol
Exact Mass151.01
IUPAC NameN-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine
SMILESCC1CSC(NO)S1
InChIInChI=1S/C4H9NOS2/c1-3-2-7-4(5-6)8-3/h3-6H,2H2,1H3
InChIKeyUGWVWBLKIBQUBK-UHFFFAOYSA-N
XLogP1.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-methyl-1,3-dithiolan-2-yl)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-methylthiirane;thiirane
CID 22367971
methane;S-[(4-methyl-1,3-dithiolan-2-yl)methyl] 2-methylprop-2-enethioate
CID 157209038
4-methyl-2-pentyl-1,3-dithiolane
CID 87588710
3-ethyl-5-methyl-1,2,4-trithiane
CID 6428999
(4-methyl-1,3-dithiolan-2-yl)methyl 2-methylprop-2-enoate
CID 20591145
(3S,6R)-6-methylthian-3-ol
CID 124500554
4-ethyl-N,2-dimethyl-1,3-thiazolidine-3-carboxamide
CID 134124320
methyl (4S)-4-methylthiolane-2-carboxylate
CID 122533680
(2R)-2,3-dimethylthietane
CID 130381786
(2R,3S)-2,3-dimethylthietane
CID 162937178
2,5-dithiabicyclo[2.1.0]pentane
CID 87692120
methyl 4-aminothiolane-2-carboxylate
CID 82415389

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine?
The IUPAC name of N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine (CID 21163193) is N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine.
What is the SMILES notation for N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine?
The canonical SMILES for N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine is CC1CSC(NO)S1.
What is the InChIKey of N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine?
The InChIKey is UGWVWBLKIBQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS2/c1-3-2-7-4(5-6)8-3/h3-6H,2H2,1H3.
What are the key properties of N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine?
N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine has a molecular weight of 151.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-dithiolan-2-yl)hydroxylamine is sourced from PubChem (CID 21163193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).