tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate

C15H25N3O4S3 — CID 160749919

IUPACtert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCSc2ncc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C15H25N3O4S3/c1-15(2,3)22-14(19)18-7-4-11(5-8-18)6-9-23-13-17-10-12(24-13)25(16,20)21/h10-11H,4-9H2,1-3H3,(H2,16,20,21)
InChIKeyRWRFWVRSLHJLRI-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.92
Rot. Bonds5

About tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate (PubChem CID 160749919) has the molecular formula C15H25N3O4S3 and a molecular weight of 407.58 g/mol. Its IUPAC name is tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate
PubChem CID160749919
Molecular FormulaC15H25N3O4S3
Molecular Weight407.58 g/mol
Exact Mass407.10
IUPAC Nametert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCSc2ncc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C15H25N3O4S3/c1-15(2,3)22-14(19)18-7-4-11(5-8-18)6-9-23-13-17-10-12(24-13)25(16,20)21/h10-11H,4-9H2,1-3H3,(H2,16,20,21)
InChIKeyRWRFWVRSLHJLRI-UHFFFAOYSA-N
XLogP2.92
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate (CID 160749919) is tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCSc2ncc(S(N)(=O)=O)s2)CC1.
What is the InChIKey of tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate?
The InChIKey is RWRFWVRSLHJLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S3/c1-15(2,3)22-14(19)18-7-4-11(5-8-18)6-9-23-13-17-10-12(24-13)25(16,20)21/h10-11H,4-9H2,1-3H3,(H2,16,20,21).
What are the key properties of tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate has a molecular weight of 407.58 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfanyl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 160749919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).