1-butylazetidine-3-sulfonamide

C7H16N2O2S — CID 137403867

IUPAC1-butylazetidine-3-sulfonamide
SMILESCCCCN1CC(S(N)(=O)=O)C1
InChIInChI=1S/C7H16N2O2S/c1-2-3-4-9-5-7(6-9)12(8,10)11/h7H,2-6H2,1H3,(H2,8,10,11)
InChIKeyJYLGFQQASNVMSG-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.24
Rot. Bonds4

About 1-butylazetidine-3-sulfonamide

1-butylazetidine-3-sulfonamide (PubChem CID 137403867) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-butylazetidine-3-sulfonamide.

Molecular Properties

Compound Name1-butylazetidine-3-sulfonamide
PubChem CID137403867
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-butylazetidine-3-sulfonamide
SMILESCCCCN1CC(S(N)(=O)=O)C1
InChIInChI=1S/C7H16N2O2S/c1-2-3-4-9-5-7(6-9)12(8,10)11/h7H,2-6H2,1H3,(H2,8,10,11)
InChIKeyJYLGFQQASNVMSG-UHFFFAOYSA-N
XLogP-0.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylazetidine-3-sulfonamide?
The IUPAC name of 1-butylazetidine-3-sulfonamide (CID 137403867) is 1-butylazetidine-3-sulfonamide.
What is the SMILES notation for 1-butylazetidine-3-sulfonamide?
The canonical SMILES for 1-butylazetidine-3-sulfonamide is CCCCN1CC(S(N)(=O)=O)C1.
What is the InChIKey of 1-butylazetidine-3-sulfonamide?
The InChIKey is JYLGFQQASNVMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-3-4-9-5-7(6-9)12(8,10)11/h7H,2-6H2,1H3,(H2,8,10,11).
What are the key properties of 1-butylazetidine-3-sulfonamide?
1-butylazetidine-3-sulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylazetidine-3-sulfonamide is sourced from PubChem (CID 137403867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).