N-propan-2-ylazetidine-1-sulfonamide

C6H14N2O2S — CID 59340367

IUPACN-propan-2-ylazetidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC1
InChIInChI=1S/C6H14N2O2S/c1-6(2)7-11(9,10)8-4-3-5-8/h6-7H,3-5H2,1-2H3
InChIKeyIYVBLZHAIPDDJC-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.07
Rot. Bonds3

About N-propan-2-ylazetidine-1-sulfonamide

N-propan-2-ylazetidine-1-sulfonamide (PubChem CID 59340367) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-propan-2-ylazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-ylazetidine-1-sulfonamide
PubChem CID59340367
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-propan-2-ylazetidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC1
InChIInChI=1S/C6H14N2O2S/c1-6(2)7-11(9,10)8-4-3-5-8/h6-7H,3-5H2,1-2H3
InChIKeyIYVBLZHAIPDDJC-UHFFFAOYSA-N
XLogP-0.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylazetidine-1-sulfonamide?
The IUPAC name of N-propan-2-ylazetidine-1-sulfonamide (CID 59340367) is N-propan-2-ylazetidine-1-sulfonamide.
What is the SMILES notation for N-propan-2-ylazetidine-1-sulfonamide?
The canonical SMILES for N-propan-2-ylazetidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC1.
What is the InChIKey of N-propan-2-ylazetidine-1-sulfonamide?
The InChIKey is IYVBLZHAIPDDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-6(2)7-11(9,10)8-4-3-5-8/h6-7H,3-5H2,1-2H3.
What are the key properties of N-propan-2-ylazetidine-1-sulfonamide?
N-propan-2-ylazetidine-1-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylazetidine-1-sulfonamide is sourced from PubChem (CID 59340367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).