tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate

C14H28N2O4S — CID 126823140

IUPACtert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate
SMILESCCCCN(C)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O4S/c1-6-7-8-15(5)21(18,19)11-12-9-16(10-12)13(17)20-14(2,3)4/h12H,6-11H2,1-5H3
InChIKeyBONLRIFAJKQUSV-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.91
Rot. Bonds6

About tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate

tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate (PubChem CID 126823140) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate
PubChem CID126823140
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Nametert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate
SMILESCCCCN(C)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O4S/c1-6-7-8-15(5)21(18,19)11-12-9-16(10-12)13(17)20-14(2,3)4/h12H,6-11H2,1-5H3
InChIKeyBONLRIFAJKQUSV-UHFFFAOYSA-N
XLogP1.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
CID 155681430
tert-butyl 3-(butylaminomethyl)azetidine-1-carboxylate
CID 71304630
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl 3-[[di(nonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 129286225
tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate
CID 71258498
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (3R,4S)-3-hydroxy-4-(methylsulfonylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 142675756
tert-butyl (1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877871
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate
CID 126823150
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;2-methylpentane
CID 174865943

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate (CID 126823140) is tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate is CCCCN(C)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate?
The InChIKey is BONLRIFAJKQUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-6-7-8-15(5)21(18,19)11-12-9-16(10-12)13(17)20-14(2,3)4/h12H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate has a molecular weight of 320.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 126823140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).