tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate

C18H28N2O2S — CID 103719834

IUPACtert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2cc3c(s2)CCC3)C1
InChIInChI=1S/C18H28N2O2S/c1-18(2,3)22-17(21)20-14-8-7-13(10-14)19-11-15-9-12-5-4-6-16(12)23-15/h9,13-14,19H,4-8,10-11H2,1-3H3,(H,20,21)
InChIKeyLKASFQFAGKVYPU-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.77
Rot. Bonds4

About tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate

tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate (PubChem CID 103719834) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate
PubChem CID103719834
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Nametert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2cc3c(s2)CCC3)C1
InChIInChI=1S/C18H28N2O2S/c1-18(2,3)22-17(21)20-14-8-7-13(10-14)19-11-15-9-12-5-4-6-16(12)23-15/h9,13-14,19H,4-8,10-11H2,1-3H3,(H,20,21)
InChIKeyLKASFQFAGKVYPU-UHFFFAOYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate
CID 63303317
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CID 103720142
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109
tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate
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N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091166
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
3-(cyclopropylamino)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 61208786
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate (CID 103719834) is tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCc2cc3c(s2)CCC3)C1.
What is the InChIKey of tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate?
The InChIKey is LKASFQFAGKVYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-18(2,3)22-17(21)20-14-8-7-13(10-14)19-11-15-9-12-5-4-6-16(12)23-15/h9,13-14,19H,4-8,10-11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate has a molecular weight of 336.50 g/mol, XLogP of 3.77, 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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 103719834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).