2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one

C14H20N2O3S2 — CID 103414737

IUPAC2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one
SMILESCc1ncc(S(=O)(=O)N2CCCCC2C2CCCC2=O)s1
InChIInChI=1S/C14H20N2O3S2/c1-10-15-9-14(20-10)21(18,19)16-8-3-2-6-12(16)11-5-4-7-13(11)17/h9,11-12H,2-8H2,1H3
InChIKeyWYNCRDFMXGMNGP-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.36
Rot. Bonds3

About 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one

2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one (PubChem CID 103414737) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one
PubChem CID103414737
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one
SMILESCc1ncc(S(=O)(=O)N2CCCCC2C2CCCC2=O)s1
InChIInChI=1S/C14H20N2O3S2/c1-10-15-9-14(20-10)21(18,19)16-8-3-2-6-12(16)11-5-4-7-13(11)17/h9,11-12H,2-8H2,1H3
InChIKeyWYNCRDFMXGMNGP-UHFFFAOYSA-N
XLogP2.36
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one (CID 103414737) is 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one is Cc1ncc(S(=O)(=O)N2CCCCC2C2CCCC2=O)s1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one?
The InChIKey is WYNCRDFMXGMNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-10-15-9-14(20-10)21(18,19)16-8-3-2-6-12(16)11-5-4-7-13(11)17/h9,11-12H,2-8H2,1H3.
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one?
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one has a molecular weight of 328.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 103414737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).