tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate

C17H28N2O2S — CID 103759595

IUPACtert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
SMILESCCCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-5-7-14(15-8-6-9-22-15)18-12-10-13(11-12)19-16(20)21-17(2,3)4/h6,8-9,12-14,18H,5,7,10-11H2,1-4H3,(H,19,20)
InChIKeyCLXLQGUJJCQLDI-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.23
Rot. Bonds6

About tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate

tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate (PubChem CID 103759595) 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-ylbutylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
PubChem CID103759595
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Nametert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
SMILESCCCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-5-7-14(15-8-6-9-22-15)18-12-10-13(11-12)19-16(20)21-17(2,3)4/h6,8-9,12-14,18H,5,7,10-11H2,1-4H3,(H,19,20)
InChIKeyCLXLQGUJJCQLDI-UHFFFAOYSA-N
XLogP4.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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CID 103719850
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3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
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tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
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tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
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tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate
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(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
CID 102516088
tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112544264
tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate
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4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
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tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate (CID 103759595) is tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate is CCCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1cccs1.
What is the InChIKey of tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate?
The InChIKey is CLXLQGUJJCQLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-5-7-14(15-8-6-9-22-15)18-12-10-13(11-12)19-16(20)21-17(2,3)4/h6,8-9,12-14,18H,5,7,10-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate has a molecular weight of 324.49 g/mol, XLogP of 4.23, 6 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-ylbutylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103759595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).