tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate

C17H28N2O2S — CID 103719850

IUPACtert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
SMILESCCC(NC1CCC(NC(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-5-14(15-7-6-10-22-15)18-12-8-9-13(11-12)19-16(20)21-17(2,3)4/h6-7,10,12-14,18H,5,8-9,11H2,1-4H3,(H,19,20)
InChIKeyHAWVBQIWJLHEFZ-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.23
Rot. Bonds5

About tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate

tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate (PubChem CID 103719850) 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-ylpropylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
PubChem CID103719850
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Nametert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
SMILESCCC(NC1CCC(NC(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-5-14(15-7-6-10-22-15)18-12-8-9-13(11-12)19-16(20)21-17(2,3)4/h6-7,10,12-14,18H,5,8-9,11H2,1-4H3,(H,19,20)
InChIKeyHAWVBQIWJLHEFZ-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
CID 103720059
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
tert-butyl 3-(1-thiophen-2-ylpropylamino)azepane-1-carboxylate
CID 107249327
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
CID 107862557
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
CID 103730198
tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate
CID 107253496
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55153023
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
CID 102516088
tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate
CID 66338688

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate (CID 103719850) is tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate is CCC(NC1CCC(NC(=O)OC(C)(C)C)C1)c1cccs1.
What is the InChIKey of tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate?
The InChIKey is HAWVBQIWJLHEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-5-14(15-7-6-10-22-15)18-12-8-9-13(11-12)19-16(20)21-17(2,3)4/h6-7,10,12-14,18H,5,8-9,11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate has a molecular weight of 324.49 g/mol, XLogP of 4.23, 5 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-ylpropylamino)cyclopentyl]carbamate is sourced from PubChem (CID 103719850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).