molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone

C6H14N2OS — CID 153349373

IUPACmolecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CNS)C1.[H][H]
InChIInChI=1S/C6H12N2OS.H2/c1-5(9)8-3-6(4-8)2-7-10;/h6-7,10H,2-4H2,1H3;1H
InChIKeyQPDLDKVHOBKAMU-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.15
Rot. Bonds2

About molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone

molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone (PubChem CID 153349373) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Namemolecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone
PubChem CID153349373
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Namemolecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CNS)C1.[H][H]
InChIInChI=1S/C6H12N2OS.H2/c1-5(9)8-3-6(4-8)2-7-10;/h6-7,10H,2-4H2,1H3;1H
InChIKeyQPDLDKVHOBKAMU-UHFFFAOYSA-N
XLogP0.15
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone 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-ethylazetidine-3-carboxamide
CID 65963358
1-[3-(Aminomethyl)azetidin-1-yl]ethan-1-one
CID 64989017
1-Acetylazetidine-3-carboxamide
CID 71785350
1-[3-(Aminomethyl)-3-fluoroazetidin-1-yl]ethan-1-one
CID 165476131
N-(azetidin-3-ylmethyl)acetamide
CID 15615455
N-(3-Azetidinylmethyl)-acetamide hydrochloride
CID 15615456
N-[(1-methanidylazetidin-1-ium-3-yl)methyl]-N-methylacetamide
CID 21030049
N-(3-Azetidinylmethyl)-N-methylacetamide
CID 22061394
N-((3-Methylazetidin-3-yl)methyl)acetamide
CID 22074207
1-Propanoylazetidine-3-carboxamide
CID 54343538
N-(azetidin-3-ylmethyl)propanamide
CID 57937378
N-propylazetidine-3-carboxamide
CID 58831709

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone?
The IUPAC name of molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone (CID 153349373) is molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone.
What is the SMILES notation for molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone?
The canonical SMILES for molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone is CC(=O)N1CC(CNS)C1.[H][H].
What is the InChIKey of molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone?
The InChIKey is QPDLDKVHOBKAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS.H2/c1-5(9)8-3-6(4-8)2-7-10;/h6-7,10H,2-4H2,1H3;1H.
What are the key properties of molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone?
molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone has a molecular weight of 162.26 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 153349373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).