N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide

C14H18N4O2S2 — CID 110093241

IUPACN,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC1c1ccc(-c2nccs2)cn1
InChIInChI=1S/C14H18N4O2S2/c1-17(2)22(19,20)18-8-3-4-13(18)12-6-5-11(10-16-12)14-15-7-9-21-14/h5-7,9-10,13H,3-4,8H2,1-2H3
InChIKeyHVHLFDJKXHKWBG-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.15
Rot. Bonds4

About N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide

N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide (PubChem CID 110093241) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
PubChem CID110093241
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC NameN,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC1c1ccc(-c2nccs2)cn1
InChIInChI=1S/C14H18N4O2S2/c1-17(2)22(19,20)18-8-3-4-13(18)12-6-5-11(10-16-12)14-15-7-9-21-14/h5-7,9-10,13H,3-4,8H2,1-2H3
InChIKeyHVHLFDJKXHKWBG-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide (CID 110093241) is N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC1c1ccc(-c2nccs2)cn1.
What is the InChIKey of N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The InChIKey is HVHLFDJKXHKWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-17(2)22(19,20)18-8-3-4-13(18)12-6-5-11(10-16-12)14-15-7-9-21-14/h5-7,9-10,13H,3-4,8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide has a molecular weight of 338.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110093241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).