tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate

C17H32N2O2S — CID 103062610

IUPACtert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC1CCSC1
InChIInChI=1S/C17H32N2O2S/c1-13(18-14-8-10-22-12-14)11-15-7-5-6-9-19(15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyVSYZNOIOYPLLKH-UHFFFAOYSA-N
MW328.52 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate

tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate (PubChem CID 103062610) has the molecular formula C17H32N2O2S and a molecular weight of 328.52 g/mol. Its IUPAC name is tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate
PubChem CID103062610
Molecular FormulaC17H32N2O2S
Molecular Weight328.52 g/mol
Exact Mass328.22
IUPAC Nametert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC1CCSC1
InChIInChI=1S/C17H32N2O2S/c1-13(18-14-8-10-22-12-14)11-15-7-5-6-9-19(15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyVSYZNOIOYPLLKH-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82687309
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tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
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tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl 2-[2-(but-3-yn-2-ylamino)propyl]piperidine-1-carboxylate
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tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
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tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate
CID 104871958
tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate (CID 103062610) is tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate is CC(CC1CCCCN1C(=O)OC(C)(C)C)NC1CCSC1.
What is the InChIKey of tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate?
The InChIKey is VSYZNOIOYPLLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2S/c1-13(18-14-8-10-22-12-14)11-15-7-5-6-9-19(15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate has a molecular weight of 328.52 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 103062610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).