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

C10H22N2O3S — CID 114809617

IUPACN-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C10H22N2O3S/c1-5-6-10(13)7-12(8-10)16(14,15)11-9(2,3)4/h11,13H,5-8H2,1-4H3
InChIKeyVVHILYDFWFFNPO-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.47
Rot. Bonds4

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

N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide (PubChem CID 114809617) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide
PubChem CID114809617
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C10H22N2O3S/c1-5-6-10(13)7-12(8-10)16(14,15)11-9(2,3)4/h11,13H,5-8H2,1-4H3
InChIKeyVVHILYDFWFFNPO-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.47
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-propylazetidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide (CID 114809617) is N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide is CCCC1(O)CN(S(=O)(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide?
The InChIKey is VVHILYDFWFFNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-5-6-10(13)7-12(8-10)16(14,15)11-9(2,3)4/h11,13H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide?
N-tert-butyl-3-hydroxy-3-propylazetidine-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.47, 4 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-propylazetidine-1-sulfonamide is sourced from PubChem (CID 114809617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).