tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate

C17H28N2O2S — CID 103720059

IUPACtert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
SMILESCC(NC1CCCC(NC(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-12(15-9-6-10-22-15)18-13-7-5-8-14(11-13)19-16(20)21-17(2,3)4/h6,9-10,12-14,18H,5,7-8,11H2,1-4H3,(H,19,20)
InChIKeyRZZDFDFTSYKQJV-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.23
Rot. Bonds4

About tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate

tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate (PubChem CID 103720059) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
PubChem CID103720059
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Nametert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
SMILESCC(NC1CCCC(NC(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-12(15-9-6-10-22-15)18-13-7-5-8-14(11-13)19-16(20)21-17(2,3)4/h6,9-10,12-14,18H,5,7-8,11H2,1-4H3,(H,19,20)
InChIKeyRZZDFDFTSYKQJV-UHFFFAOYSA-N
XLogP4.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate
CID 113247871
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate
CID 103791717
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
CID 107354580
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate (CID 103720059) is tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate is CC(NC1CCCC(NC(=O)OC(C)(C)C)C1)c1cccs1.
What is the InChIKey of tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate?
The InChIKey is RZZDFDFTSYKQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-12(15-9-6-10-22-15)18-13-7-5-8-14(11-13)19-16(20)21-17(2,3)4/h6,9-10,12-14,18H,5,7-8,11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate?
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate has a molecular weight of 324.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103720059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).