5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide

C14H25FN2O2S2Si — CID 167348199

IUPAC5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide
SMILESCC(C)(C)[Si](C)(C)NS(=O)(=O)c1sc(CN2CCC2)cc1F
InChIInChI=1S/C14H25FN2O2S2Si/c1-14(2,3)22(4,5)16-21(18,19)13-12(15)9-11(20-13)10-17-7-6-8-17/h9,16H,6-8,10H2,1-5H3
InChIKeyLVWPUDNJCIXISN-UHFFFAOYSA-N
MW364.58 g/mol
LogP3.38
Rot. Bonds5

About 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide

5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide (PubChem CID 167348199) has the molecular formula C14H25FN2O2S2Si and a molecular weight of 364.58 g/mol. Its IUPAC name is 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide
PubChem CID167348199
Molecular FormulaC14H25FN2O2S2Si
Molecular Weight364.58 g/mol
Exact Mass364.11
IUPAC Name5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide
SMILESCC(C)(C)[Si](C)(C)NS(=O)(=O)c1sc(CN2CCC2)cc1F
InChIInChI=1S/C14H25FN2O2S2Si/c1-14(2,3)22(4,5)16-21(18,19)13-12(15)9-11(20-13)10-17-7-6-8-17/h9,16H,6-8,10H2,1-5H3
InChIKeyLVWPUDNJCIXISN-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide?
The IUPAC name of 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide (CID 167348199) is 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide.
What is the SMILES notation for 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide?
The canonical SMILES for 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide is CC(C)(C)[Si](C)(C)NS(=O)(=O)c1sc(CN2CCC2)cc1F.
What is the InChIKey of 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide?
The InChIKey is LVWPUDNJCIXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O2S2Si/c1-14(2,3)22(4,5)16-21(18,19)13-12(15)9-11(20-13)10-17-7-6-8-17/h9,16H,6-8,10H2,1-5H3.
What are the key properties of 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide?
5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide has a molecular weight of 364.58 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 167348199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).