tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate

C17H26N2O3S — CID 71991544

IUPACtert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate
SMILESCN(Cc1cccs1)C(=O)C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18-13-8-7-12(10-13)15(20)19(4)11-14-6-5-9-23-14/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,18,21)
InChIKeyKKZXIGHTKCSQPO-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.40
Rot. Bonds4

About tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate

tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate (PubChem CID 71991544) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate
PubChem CID71991544
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate
SMILESCN(Cc1cccs1)C(=O)C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18-13-8-7-12(10-13)15(20)19(4)11-14-6-5-9-23-14/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,18,21)
InChIKeyKKZXIGHTKCSQPO-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

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Related Compounds

2,4-dimethylpentan-3-yl N-[(3S)-5-methyl-1,2-dioxo-1-(thiophen-2-ylmethylamino)hexan-3-yl]carbamate
CID 11188663
2,4-dimethylpentan-3-yl N-[(3S)-4-methyl-1,2-dioxo-1-(thiophen-2-ylmethylamino)hexan-3-yl]carbamate
CID 44370493
(S)-tert-butyl 1,2-dioxo-1-(thiophen-2-ylmethylamino)heptan-3-ylcarbamate
CID 44375810
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclopentanecarboxamide
CID 24234478
Tert-butyl 3-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]azetidine-1-carboxylate
CID 71984952
1-[(3-Methylthiophen-2-YL)methyl]-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199302
2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7682110
(1S,11R)-2-[(5-methylthiophen-2-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199297
3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
CID 66010620
N-[(1S)-1-thiophen-2-ylethyl]cyclopentanecarboxamide
CID 93604645
tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate
CID 6736292
3-(2-ethyl-5-oxo-2-pyrrolidinyl)-N-[1-(2-thienyl)ethyl]propanamide
CID 45222547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate (CID 71991544) is tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate is CN(Cc1cccs1)C(=O)C1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate?
The InChIKey is KKZXIGHTKCSQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18-13-8-7-12(10-13)15(20)19(4)11-14-6-5-9-23-14/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[3-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclopentyl]carbamate?
tert-butyl N-[3-[methyl(thiophen-2-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-2-ylmethyl)carbamoyl]cyclopentyl]carbamate is sourced from PubChem (CID 71991544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).