tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate

C17H26N2O3S — CID 71991539

IUPACtert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate
SMILESCN(Cc1ccsc1)C(=O)C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18-14-6-5-13(9-14)15(20)19(4)10-12-7-8-23-11-12/h7-8,11,13-14H,5-6,9-10H2,1-4H3,(H,18,21)
InChIKeyLLEGBGHURFFOOZ-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.40
Rot. Bonds4

About tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate

tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate (PubChem CID 71991539) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate
PubChem CID71991539
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate
SMILESCN(Cc1ccsc1)C(=O)C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18-14-6-5-13(9-14)15(20)19(4)10-12-7-8-23-11-12/h7-8,11,13-14H,5-6,9-10H2,1-4H3,(H,18,21)
InChIKeyLLEGBGHURFFOOZ-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
tert-butyl N-[(1S,3S)-3-[[(2-phenylacetyl)amino]carbamoyl]cyclopentyl]carbamate
CID 59028706
methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 159448743
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate
CID 95986929
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 66265185
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate (CID 71991539) is tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate is CN(Cc1ccsc1)C(=O)C1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate?
The InChIKey is LLEGBGHURFFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18-14-6-5-13(9-14)15(20)19(4)10-12-7-8-23-11-12/h7-8,11,13-14H,5-6,9-10H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate?
tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate has a molecular weight of 338.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate is sourced from PubChem (CID 71991539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).