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

C11H16ClN3O3S2 — CID 61045958

IUPACN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O3S2/c1-2-9(16)14-8-3-5-15(6-4-8)20(17,18)10-7-13-11(12)19-10/h7-8H,2-6H2,1H3,(H,14,16)
InChIKeyMXGBCRDVMIBKPS-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.48
Rot. Bonds4

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

N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide (PubChem CID 61045958) has the molecular formula C11H16ClN3O3S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide
PubChem CID61045958
Molecular FormulaC11H16ClN3O3S2
Molecular Weight337.85 g/mol
Exact Mass337.03
IUPAC NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O3S2/c1-2-9(16)14-8-3-5-15(6-4-8)20(17,18)10-7-13-11(12)19-10/h7-8H,2-6H2,1H3,(H,14,16)
InChIKeyMXGBCRDVMIBKPS-UHFFFAOYSA-N
XLogP1.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.48
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]propanamide?
The IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide (CID 61045958) is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide is CCC(=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]propanamide?
The InChIKey is MXGBCRDVMIBKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S2/c1-2-9(16)14-8-3-5-15(6-4-8)20(17,18)10-7-13-11(12)19-10/h7-8H,2-6H2,1H3,(H,14,16).
What are the key properties of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide?
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide has a molecular weight of 337.85 g/mol, XLogP of 1.48, 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]propanamide is sourced from PubChem (CID 61045958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).