N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide

C8H18N2O3S — CID 114809603

IUPACN-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide
SMILESCC1(O)CN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C8H18N2O3S/c1-7(2,3)9-14(12,13)10-5-8(4,11)6-10/h9,11H,5-6H2,1-4H3
InChIKeyGJPRLFBNJNCXJO-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.31
Rot. Bonds2

About N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide

N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide (PubChem CID 114809603) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide
PubChem CID114809603
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide
SMILESCC1(O)CN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C8H18N2O3S/c1-7(2,3)9-14(12,13)10-5-8(4,11)6-10/h9,11H,5-6H2,1-4H3
InChIKeyGJPRLFBNJNCXJO-UHFFFAOYSA-N
XLogP-0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide (CID 114809603) is N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide is CC1(O)CN(S(=O)(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide?
The InChIKey is GJPRLFBNJNCXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(2,3)9-14(12,13)10-5-8(4,11)6-10/h9,11H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide?
N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-hydroxy-3-methylazetidine-1-sulfonamide is sourced from PubChem (CID 114809603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).