N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide

C12H19N3O2S2 — CID 163344051

IUPACN-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2cncs2)CC1)C1CC1
InChIInChI=1S/C12H19N3O2S2/c16-19(17,12-1-2-12)14-10-3-5-15(6-4-10)8-11-7-13-9-18-11/h7,9-10,12,14H,1-6,8H2
InChIKeyVFWKETUWSARJOQ-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.19
Rot. Bonds5

About N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide

N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 163344051) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
PubChem CID163344051
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC NameN-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2cncs2)CC1)C1CC1
InChIInChI=1S/C12H19N3O2S2/c16-19(17,12-1-2-12)14-10-3-5-15(6-4-10)8-11-7-13-9-18-11/h7,9-10,12,14H,1-6,8H2
InChIKeyVFWKETUWSARJOQ-UHFFFAOYSA-N
XLogP1.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide (CID 163344051) is N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCN(Cc2cncs2)CC1)C1CC1.
What is the InChIKey of N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is VFWKETUWSARJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c16-19(17,12-1-2-12)14-10-3-5-15(6-4-10)8-11-7-13-9-18-11/h7,9-10,12,14H,1-6,8H2.
What are the key properties of N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 301.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 163344051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).