tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate

C17H28N2O2S — CID 103791717

IUPACtert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate
SMILESC[C@H](NC1CCCC1CNC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-12(15-9-6-10-22-15)19-14-8-5-7-13(14)11-18-16(20)21-17(2,3)4/h6,9-10,12-14,19H,5,7-8,11H2,1-4H3,(H,18,20)/t12-,13?,14?/m0/s1
InChIKeyCNQYLRHVZNMXQJ-HSBZDZAISA-N
MW324.49 g/mol
LogP4.09
Rot. Bonds5

About tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate (PubChem CID 103791717) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate
PubChem CID103791717
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Nametert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate
SMILESC[C@H](NC1CCCC1CNC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-12(15-9-6-10-22-15)19-14-8-5-7-13(14)11-18-16(20)21-17(2,3)4/h6,9-10,12-14,19H,5,7-8,11H2,1-4H3,(H,18,20)/t12-,13?,14?/m0/s1
InChIKeyCNQYLRHVZNMXQJ-HSBZDZAISA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[(2R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-2-yl]methyl]carbamate
CID 97175621
tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
CID 103720059
tert-butyl N-[[2-[(3-bromothiophen-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103750525
tert-butyl N-[[2-(2,6-dibromoanilino)cyclopentyl]methyl]carbamate
CID 107597176
tert-butyl N-[[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 113242256
tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
CID 103695763
methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
CID 113242246
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate (CID 103791717) is tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate is C[C@H](NC1CCCC1CNC(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate?
The InChIKey is CNQYLRHVZNMXQJ-HSBZDZAISA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-12(15-9-6-10-22-15)19-14-8-5-7-13(14)11-18-16(20)21-17(2,3)4/h6,9-10,12-14,19H,5,7-8,11H2,1-4H3,(H,18,20)/t12-,13?,14?/m0/s1.
What are the key properties of tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate has a molecular weight of 324.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103791717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).