N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide

C10H17N3O2S2 — CID 54972413

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide
SMILESCc1ncc(CNS(=O)(=O)C2CCCNC2)s1
InChIInChI=1S/C10H17N3O2S2/c1-8-12-5-9(16-8)6-13-17(14,15)10-3-2-4-11-7-10/h5,10-11,13H,2-4,6-7H2,1H3
InChIKeyJVUHEODLUXJWBS-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.62
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide (PubChem CID 54972413) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide
PubChem CID54972413
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide
SMILESCc1ncc(CNS(=O)(=O)C2CCCNC2)s1
InChIInChI=1S/C10H17N3O2S2/c1-8-12-5-9(16-8)6-13-17(14,15)10-3-2-4-11-7-10/h5,10-11,13H,2-4,6-7H2,1H3
InChIKeyJVUHEODLUXJWBS-UHFFFAOYSA-N
XLogP0.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide (CID 54972413) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide is Cc1ncc(CNS(=O)(=O)C2CCCNC2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide?
The InChIKey is JVUHEODLUXJWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-8-12-5-9(16-8)6-13-17(14,15)10-3-2-4-11-7-10/h5,10-11,13H,2-4,6-7H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide has a molecular weight of 275.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 54972413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).