1-tert-butyl-3-(ethylsulfonylmethyl)azetidine

C10H21NO2S — CID 159658235

IUPAC1-tert-butyl-3-(ethylsulfonylmethyl)azetidine
SMILESCCS(=O)(=O)CC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H21NO2S/c1-5-14(12,13)8-9-6-11(7-9)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyMSLJRBSUKSFJGA-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.15
Rot. Bonds3

About 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine

1-tert-butyl-3-(ethylsulfonylmethyl)azetidine (PubChem CID 159658235) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(ethylsulfonylmethyl)azetidine
PubChem CID159658235
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-tert-butyl-3-(ethylsulfonylmethyl)azetidine
SMILESCCS(=O)(=O)CC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H21NO2S/c1-5-14(12,13)8-9-6-11(7-9)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyMSLJRBSUKSFJGA-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butyl-3-(2,2,2-trifluoroethylsulfonylmethyl)azetidine
CID 159142905
3,3,5,5-Tetramethyl-4-propyl-1,4-thiazinane 1,1-dioxide
CID 21394474
3,3,5,5-Tetramethyl-4-(2-methylpropyl)-1,4-thiazinane 1,1-dioxide
CID 21394475
1-Methyl-3-(methylsulfonylmethyl)azetidine
CID 58035128
1-Tert-butyl-3-tert-butylsulfinylazetidine
CID 59522769
3-Tert-butylsulfonyl-1-methylazetidine
CID 59522773
1-Tert-butyl-3-tert-butylsulfonylazetidine
CID 59522777
N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine
CID 59603413
N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
CID 59656303
(3S)-N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
CID 59691472
(3R)-N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
CID 59691485
1-(3-Methylbutyl)-3-methylsulfonylazetidine
CID 59761793

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine?
The IUPAC name of 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine (CID 159658235) is 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine?
The canonical SMILES for 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine is CCS(=O)(=O)CC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine?
The InChIKey is MSLJRBSUKSFJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-14(12,13)8-9-6-11(7-9)10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine?
1-tert-butyl-3-(ethylsulfonylmethyl)azetidine has a molecular weight of 219.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(ethylsulfonylmethyl)azetidine is sourced from PubChem (CID 159658235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).