N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide

C9H20N2O2S — CID 130272155

IUPACN-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide
SMILESCC(C)N1CC(NS(=O)(=O)C(C)C)C1
InChIInChI=1S/C9H20N2O2S/c1-7(2)11-5-9(6-11)10-14(12,13)8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyAPHVQQNAHPFHEZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds4

About N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide

N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide (PubChem CID 130272155) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide
PubChem CID130272155
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide
SMILESCC(C)N1CC(NS(=O)(=O)C(C)C)C1
InChIInChI=1S/C9H20N2O2S/c1-7(2)11-5-9(6-11)10-14(12,13)8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyAPHVQQNAHPFHEZ-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide (CID 130272155) is N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide is CC(C)N1CC(NS(=O)(=O)C(C)C)C1.
What is the InChIKey of N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide?
The InChIKey is APHVQQNAHPFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(2)11-5-9(6-11)10-14(12,13)8(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide?
N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 130272155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).