ethane;3-(ethoxymethyl)thiazetidine

C7H17NOS — CID 168942741

IUPACethane;3-(ethoxymethyl)thiazetidine
SMILESCC.CCOCC1CSN1
InChIInChI=1S/C5H11NOS.C2H6/c1-2-7-3-5-4-8-6-5;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyZFSXEIWPBLKDKV-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.67
Rot. Bonds3

About ethane;3-(ethoxymethyl)thiazetidine

ethane;3-(ethoxymethyl)thiazetidine (PubChem CID 168942741) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is ethane;3-(ethoxymethyl)thiazetidine.

Molecular Properties

Compound Nameethane;3-(ethoxymethyl)thiazetidine
PubChem CID168942741
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Nameethane;3-(ethoxymethyl)thiazetidine
SMILESCC.CCOCC1CSN1
InChIInChI=1S/C5H11NOS.C2H6/c1-2-7-3-5-4-8-6-5;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyZFSXEIWPBLKDKV-UHFFFAOYSA-N
XLogP1.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethyl)azepane
CID 79569846
cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride
CID 135324600
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939
7-(ethoxymethyl)bicyclo[2.2.1]heptane
CID 91410594
2-(ethoxymethyl)cyclohexan-1-amine
CID 79568761
6-(ethoxymethyl)-1,3-oxazinane
CID 19874139
ethoxymethylcyclooctane
CID 70370569
4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine
CID 121202795
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine
CID 121204146
4-(2-ethoxyethoxymethyl)imidazolidin-2-one
CID 144797665

Frequently Asked Questions

What is the IUPAC name of ethane;3-(ethoxymethyl)thiazetidine?
The IUPAC name of ethane;3-(ethoxymethyl)thiazetidine (CID 168942741) is ethane;3-(ethoxymethyl)thiazetidine.
What is the SMILES notation for ethane;3-(ethoxymethyl)thiazetidine?
The canonical SMILES for ethane;3-(ethoxymethyl)thiazetidine is CC.CCOCC1CSN1.
What is the InChIKey of ethane;3-(ethoxymethyl)thiazetidine?
The InChIKey is ZFSXEIWPBLKDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS.C2H6/c1-2-7-3-5-4-8-6-5;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-(ethoxymethyl)thiazetidine?
ethane;3-(ethoxymethyl)thiazetidine has a molecular weight of 163.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(ethoxymethyl)thiazetidine is sourced from PubChem (CID 168942741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).