N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide

C13H18N4O3S2 — CID 121117215

IUPACN,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C13H18N4O3S2/c1-16(2)22(18,19)17-6-3-10(4-7-17)12-14-15-13(20-12)11-5-8-21-9-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyDSVULGPBWBWFLC-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.78
Rot. Bonds4

About N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide

N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide (PubChem CID 121117215) has the molecular formula C13H18N4O3S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide
PubChem CID121117215
Molecular FormulaC13H18N4O3S2
Molecular Weight342.45 g/mol
Exact Mass342.08
IUPAC NameN,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C13H18N4O3S2/c1-16(2)22(18,19)17-6-3-10(4-7-17)12-14-15-13(20-12)11-5-8-21-9-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyDSVULGPBWBWFLC-UHFFFAOYSA-N
XLogP1.78
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide (CID 121117215) is N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is DSVULGPBWBWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S2/c1-16(2)22(18,19)17-6-3-10(4-7-17)12-14-15-13(20-12)11-5-8-21-9-11/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide?
N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 342.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 121117215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).