tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate

C14H28N2O2S — CID 69118169

IUPACtert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate
SMILESCCSCCN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2S/c1-5-19-11-10-16-8-6-12(7-9-16)15-13(17)18-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyOWGUHDVVTJCJDA-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.73
Rot. Bonds5

About tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate (PubChem CID 69118169) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate
PubChem CID69118169
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Nametert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate
SMILESCCSCCN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2S/c1-5-19-11-10-16-8-6-12(7-9-16)15-13(17)18-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyOWGUHDVVTJCJDA-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamate
CID 70931463
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-yl]carbamate
CID 156865630
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691
[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methanesulfinic acid
CID 174605400
tert-butyl N-[1-[2-(dimethylamino)ethyl]azepan-4-yl]carbamate;ethane
CID 143651489

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate (CID 69118169) is tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate is CCSCCN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate?
The InChIKey is OWGUHDVVTJCJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-5-19-11-10-16-8-6-12(7-9-16)15-13(17)18-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate has a molecular weight of 288.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 69118169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).