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

C10H20N2O3S — CID 114809630

IUPACN-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C10H20N2O3S/c1-9(2,3)11-16(14,15)12-6-10(13,7-12)8-4-5-8/h8,11,13H,4-7H2,1-3H3
InChIKeyFDTYCAUAIJZWBI-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.08
Rot. Bonds3

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

N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide (PubChem CID 114809630) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide
PubChem CID114809630
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C10H20N2O3S/c1-9(2,3)11-16(14,15)12-6-10(13,7-12)8-4-5-8/h8,11,13H,4-7H2,1-3H3
InChIKeyFDTYCAUAIJZWBI-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-hydroxy-N,N-dipropylazetidine-1-sulfonamide
CID 65934349
N-cyclohexyl-3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide
CID 65935150
N-butyl-3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide
CID 65935554
3-cyclopropyl-3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide
CID 65936350
3-cyclopropyl-3-hydroxy-N,N-dimethylazetidine-1-sulfonamide
CID 65937157
3-cyclopropyl-N,N-diethyl-3-hydroxyazetidine-1-sulfonamide
CID 65937352
N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
CID 114809610
N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 114809617
N-ethyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 114809619
3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide
CID 114809620
N-cyclopropyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 114809621
3-hydroxy-N,3-dipropylazetidine-1-sulfonamide
CID 114809622

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide (CID 114809630) is N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide is CC(C)(C)NS(=O)(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide?
The InChIKey is FDTYCAUAIJZWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9(2,3)11-16(14,15)12-6-10(13,7-12)8-4-5-8/h8,11,13H,4-7H2,1-3H3.
What are the key properties of N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide?
N-tert-butyl-3-cyclopropyl-3-hydroxyazetidine-1-sulfonamide has a molecular weight of 248.35 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-cyclopropyl-3-hydroxyazetidine-1-sulfonamide is sourced from PubChem (CID 114809630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).