[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C11H13N5OS — CID 164642200

IUPAC[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC[C@H](c2nn[nH]n2)C1
InChIInChI=1S/C11H13N5OS/c17-11(9-4-2-6-18-9)16-5-1-3-8(7-16)10-12-14-15-13-10/h2,4,6,8H,1,3,5,7H2,(H,12,13,14,15)/t8-/m0/s1
InChIKeyCIVRZDHVSPKVRS-QMMMGPOBSA-N
MW263.33 g/mol
LogP1.28
Rot. Bonds2

About [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 164642200) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID164642200
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC[C@H](c2nn[nH]n2)C1
InChIInChI=1S/C11H13N5OS/c17-11(9-4-2-6-18-9)16-5-1-3-8(7-16)10-12-14-15-13-10/h2,4,6,8H,1,3,5,7H2,(H,12,13,14,15)/t8-/m0/s1
InChIKeyCIVRZDHVSPKVRS-QMMMGPOBSA-N
XLogP1.28
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 164642200) is [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC[C@H](c2nn[nH]n2)C1.
What is the InChIKey of [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is CIVRZDHVSPKVRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N5OS/c17-11(9-4-2-6-18-9)16-5-1-3-8(7-16)10-12-14-15-13-10/h2,4,6,8H,1,3,5,7H2,(H,12,13,14,15)/t8-/m0/s1.
What are the key properties of [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 263.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 164642200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).