1-ethylsulfonyl-3-propylazetidine

C8H17NO2S — CID 20620278

IUPAC1-ethylsulfonyl-3-propylazetidine
SMILESCCCC1CN(S(=O)(=O)CC)C1
InChIInChI=1S/C8H17NO2S/c1-3-5-8-6-9(7-8)12(10,11)4-2/h8H,3-7H2,1-2H3
InChIKeyNJIBYPPTPHNYRW-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds4

About 1-ethylsulfonyl-3-propylazetidine

1-ethylsulfonyl-3-propylazetidine (PubChem CID 20620278) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-propylazetidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-propylazetidine
PubChem CID20620278
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-ethylsulfonyl-3-propylazetidine
SMILESCCCC1CN(S(=O)(=O)CC)C1
InChIInChI=1S/C8H17NO2S/c1-3-5-8-6-9(7-8)12(10,11)4-2/h8H,3-7H2,1-2H3
InChIKeyNJIBYPPTPHNYRW-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopropylsulfonyl-3-propan-2-ylazetidine
CID 58054362
3-(2-Methylpropyl)-1-methylsulfonylazetidine
CID 58970616
3-Ethyl-1-propan-2-ylsulfonylazetidine
CID 59266024
N-methyl-N-(3-methylbutyl)propane-2-sulfonamide
CID 61355536
2-Tert-butyl-1-propylsulfonylazetidine
CID 67953048
3-Ethyl-1-ethylsulfonyl-3-propan-2-ylazetidine
CID 67965074
N-(cyclobutylmethyl)-N-ethylpropane-2-sulfonamide
CID 68173535
N-methyl-N-(4-methylpentyl)methanesulfonamide
CID 88991753
3-(2,2-Dimethylpropyl)-1-methylsulfonylazetidine
CID 89967730
1-Cyclobutylsulfonyl-3-propan-2-ylazetidine
CID 118444427
3-Propan-2-yl-1-propan-2-ylsulfonylazetidine
CID 121339915
2,4,6-Trimethylthiazepane 1,1-dioxide
CID 137383285

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-propylazetidine?
The IUPAC name of 1-ethylsulfonyl-3-propylazetidine (CID 20620278) is 1-ethylsulfonyl-3-propylazetidine.
What is the SMILES notation for 1-ethylsulfonyl-3-propylazetidine?
The canonical SMILES for 1-ethylsulfonyl-3-propylazetidine is CCCC1CN(S(=O)(=O)CC)C1.
What is the InChIKey of 1-ethylsulfonyl-3-propylazetidine?
The InChIKey is NJIBYPPTPHNYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-5-8-6-9(7-8)12(10,11)4-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-3-propylazetidine?
1-ethylsulfonyl-3-propylazetidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-propylazetidine is sourced from PubChem (CID 20620278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).