2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide

C11H17ClN4O3S2 — CID 61052548

IUPAC2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN4O3S2/c1-13-9(17)7-16-4-2-8(3-5-16)15-21(18,19)10-6-14-11(12)20-10/h6,8,15H,2-5,7H2,1H3,(H,13,17)
InChIKeyBQCBMAVIEFHRQS-UHFFFAOYSA-N
MW352.87 g/mol
LogP0.29
Rot. Bonds5

About 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 61052548) has the molecular formula C11H17ClN4O3S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID61052548
Molecular FormulaC11H17ClN4O3S2
Molecular Weight352.87 g/mol
Exact Mass352.04
IUPAC Name2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN4O3S2/c1-13-9(17)7-16-4-2-8(3-5-16)15-21(18,19)10-6-14-11(12)20-10/h6,8,15H,2-5,7H2,1H3,(H,13,17)
InChIKeyBQCBMAVIEFHRQS-UHFFFAOYSA-N
XLogP0.29
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide (CID 61052548) is 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is BQCBMAVIEFHRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O3S2/c1-13-9(17)7-16-4-2-8(3-5-16)15-21(18,19)10-6-14-11(12)20-10/h6,8,15H,2-5,7H2,1H3,(H,13,17).
What are the key properties of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 352.87 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 61052548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).