tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate

C13H19NO2S — CID 172741403

IUPACtert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate
SMILESCc1sccc1[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-8-9(5-6-17-8)10-7-11(10)14-12(15)16-13(2,3)4/h5-6,10-11H,7H2,1-4H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyJDLYTKNFUNUSHA-WDEREUQCSA-N
MW253.37 g/mol
LogP3.44
Rot. Bonds2

About tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate

tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate (PubChem CID 172741403) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate
PubChem CID172741403
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Nametert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate
SMILESCc1sccc1[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-8-9(5-6-17-8)10-7-11(10)14-12(15)16-13(2,3)4/h5-6,10-11H,7H2,1-4H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyJDLYTKNFUNUSHA-WDEREUQCSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2-prop-2-enylthiophen-3-yl)methyl]carbamate
CID 72695914
tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate
CID 134949716
tert-butyl N-[(1R,2E,4E)-5-phenyl-1-thiophen-2-ylpenta-2,4-dienyl]carbamate
CID 134954244
tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate
CID 134962959
tert-butyl N-[2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]carbamate
CID 104955524
propan-2-yl N-[2-(4-thiophen-3-ylphenyl)propyl]carbamate
CID 9839421
tert-butyl N-[2-(4-thiophen-3-ylphenyl)propyl]carbamate
CID 9861777
(2-Thiophen-3-YL-ethyl)-carbamic acid tert-butyl ester
CID 19600076
N-t-butoxycarbonyl-5,6-dihydro-4H-thieno[2,3-b]-thiopyran-5-amine
CID 21268846
N-Boc-2-(2-thienyl)ethanamine
CID 22726825
tert-butyl N-[(2R)-2-(4-thiophen-3-ylphenyl)propyl]carbamate
CID 23566374
tert-butyl N-[(2S)-2-(4-thiophen-3-ylphenyl)propyl]carbamate
CID 23566377

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate (CID 172741403) is tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate is Cc1sccc1[C@@H]1C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate?
The InChIKey is JDLYTKNFUNUSHA-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-8-9(5-6-17-8)10-7-11(10)14-12(15)16-13(2,3)4/h5-6,10-11H,7H2,1-4H3,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate?
tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate has a molecular weight of 253.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-(2-methylthiophen-3-yl)cyclopropyl]carbamate is sourced from PubChem (CID 172741403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).