1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione

C17H25N3O4S3 — CID 71800821

IUPAC1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCc1csc(SCC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)n1
InChIInChI=1S/C17H25N3O4S3/c1-13-11-25-17(18-13)26-12-14-5-7-19(8-6-14)27(23,24)10-9-20-15(21)3-2-4-16(20)22/h11,14H,2-10,12H2,1H3
InChIKeyGNIOFHDAIFECPO-UHFFFAOYSA-N
MW431.61 g/mol
LogP2.12
Rot. Bonds7

About 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 71800821) has the molecular formula C17H25N3O4S3 and a molecular weight of 431.61 g/mol. Its IUPAC name is 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID71800821
Molecular FormulaC17H25N3O4S3
Molecular Weight431.61 g/mol
Exact Mass431.10
IUPAC Name1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCc1csc(SCC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)n1
InChIInChI=1S/C17H25N3O4S3/c1-13-11-25-17(18-13)26-12-14-5-7-19(8-6-14)27(23,24)10-9-20-15(21)3-2-4-16(20)22/h11,14H,2-10,12H2,1H3
InChIKeyGNIOFHDAIFECPO-UHFFFAOYSA-N
XLogP2.12
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 71800821) is 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione is Cc1csc(SCC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is GNIOFHDAIFECPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S3/c1-13-11-25-17(18-13)26-12-14-5-7-19(8-6-14)27(23,24)10-9-20-15(21)3-2-4-16(20)22/h11,14H,2-10,12H2,1H3.
What are the key properties of 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 431.61 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 71800821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).