N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide

C9H20N2O3S — CID 114809610

IUPACN-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
SMILESCCC1(O)CN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C9H20N2O3S/c1-5-9(12)6-11(7-9)15(13,14)10-8(2,3)4/h10,12H,5-7H2,1-4H3
InChIKeyAARXWXURPZKDLB-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.08
Rot. Bonds3

About N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide

N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide (PubChem CID 114809610) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
PubChem CID114809610
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
SMILESCCC1(O)CN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C9H20N2O3S/c1-5-9(12)6-11(7-9)15(13,14)10-8(2,3)4/h10,12H,5-7H2,1-4H3
InChIKeyAARXWXURPZKDLB-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide
CID 65929178
N-butyl-3-ethyl-3-hydroxy-N-methylazetidine-1-sulfonamide
CID 65929183
N,N,3-triethyl-3-hydroxyazetidine-1-sulfonamide
CID 65930226
3-ethyl-3-hydroxy-N,N-dimethylazetidine-1-sulfonamide
CID 65930651
3-hydroxy-N-methyl-N,3-di(propan-2-yl)azetidine-1-sulfonamide
CID 65934731
N-butyl-3-hydroxy-N-methyl-3-propan-2-ylazetidine-1-sulfonamide
CID 65936743
3-hydroxy-N,N-dimethyl-3-propan-2-ylazetidine-1-sulfonamide
CID 65937139
3-ethyl-3-hydroxy-N,N-dipropylazetidine-1-sulfonamide
CID 65951252
2-[[Butyl(methyl)sulfamoyl]amino]-3-hydroxy-2,3-dimethylbutane
CID 103895149
2-(Dipropylsulfamoylamino)-3-hydroxy-2,3-dimethylbutane
CID 103931281
1-[Tert-butylsulfamoyl(methyl)amino]-2-hydroxy-2-methylpropane
CID 104538460
1-[Tert-butylsulfamoyl(ethyl)amino]-2-hydroxy-2-methylpropane
CID 104538462

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide (CID 114809610) is N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide is CCC1(O)CN(S(=O)(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide?
The InChIKey is AARXWXURPZKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-5-9(12)6-11(7-9)15(13,14)10-8(2,3)4/h10,12H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide?
N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide is sourced from PubChem (CID 114809610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).