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

C12H18ClN3O3S2 — CID 61045226

IUPACN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C12H18ClN3O3S2/c1-8(2)11(17)15-9-3-5-16(6-4-9)21(18,19)10-7-14-12(13)20-10/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyNAFBVFYXYJOUCL-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.72
Rot. Bonds4

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

N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 61045226) has the molecular formula C12H18ClN3O3S2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID61045226
Molecular FormulaC12H18ClN3O3S2
Molecular Weight351.88 g/mol
Exact Mass351.05
IUPAC NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C12H18ClN3O3S2/c1-8(2)11(17)15-9-3-5-16(6-4-9)21(18,19)10-7-14-12(13)20-10/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyNAFBVFYXYJOUCL-UHFFFAOYSA-N
XLogP1.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide (CID 61045226) is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is NAFBVFYXYJOUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S2/c1-8(2)11(17)15-9-3-5-16(6-4-9)21(18,19)10-7-14-12(13)20-10/h7-9H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 351.88 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 61045226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).