tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate

C17H27N3O5S2 — CID 108558943

IUPACtert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H27N3O5S2/c1-17(2,3)25-16(22)18-9-6-14(21)19-13-7-10-20(11-8-13)27(23,24)15-5-4-12-26-15/h4-5,12-13H,6-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyGHAPKYRZEWLXQK-UHFFFAOYSA-N
MW417.55 g/mol
LogP1.93
Rot. Bonds6

About tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate

tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate (PubChem CID 108558943) has the molecular formula C17H27N3O5S2 and a molecular weight of 417.55 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate
PubChem CID108558943
Molecular FormulaC17H27N3O5S2
Molecular Weight417.55 g/mol
Exact Mass417.14
IUPAC Nametert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H27N3O5S2/c1-17(2,3)25-16(22)18-9-6-14(21)19-13-7-10-20(11-8-13)27(23,24)15-5-4-12-26-15/h4-5,12-13H,6-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyGHAPKYRZEWLXQK-UHFFFAOYSA-N
XLogP1.93
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108558915
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
CID 110823258
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[3-oxo-3-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]propyl]carbamate
CID 108548266
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
tert-butyl N-[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548229
ethyl 4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate
CID 3244590
2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108561076
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
tert-butyl N-[3-[[1-(2-bromobenzoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate (CID 108558943) is tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate?
The InChIKey is GHAPKYRZEWLXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S2/c1-17(2,3)25-16(22)18-9-6-14(21)19-13-7-10-20(11-8-13)27(23,24)15-5-4-12-26-15/h4-5,12-13H,6-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate?
tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate has a molecular weight of 417.55 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate is sourced from PubChem (CID 108558943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).