tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate

C18H30N2O2S — CID 172563133

IUPACtert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate
SMILESCCc1csc(C(C)N(CCNC(=O)OC(C)(C)C)C2CC2)c1
InChIInChI=1S/C18H30N2O2S/c1-6-14-11-16(23-12-14)13(2)20(15-7-8-15)10-9-19-17(21)22-18(3,4)5/h11-13,15H,6-10H2,1-5H3,(H,19,21)
InChIKeyOIIYAFJRWYTVEO-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.36
Rot. Bonds7

About tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate

tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate (PubChem CID 172563133) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate
PubChem CID172563133
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Nametert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate
SMILESCCc1csc(C(C)N(CCNC(=O)OC(C)(C)C)C2CC2)c1
InChIInChI=1S/C18H30N2O2S/c1-6-14-11-16(23-12-14)13(2)20(15-7-8-15)10-9-19-17(21)22-18(3,4)5/h11-13,15H,6-10H2,1-5H3,(H,19,21)
InChIKeyOIIYAFJRWYTVEO-UHFFFAOYSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
CID 46785877
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CID 146049782
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
Tert-butyl 3-[(3-thiophen-2-ylphenyl)methylamino]azetidine-1-carboxylate
CID 134789196
Tert-butyl 4-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxylate
CID 53420459
tert-butyl N-[(2R)-2-cyclopropyl-2-[(3-methylthiophene-2-carbonyl)amino]ethyl]carbamate
CID 95776019
tert-butyl N-[(3R)-3-[4-[[(4-fluorophenyl)-thiophen-3-ylmethyl]amino]piperidin-1-yl]butyl]carbamate
CID 68970757
methyl N-[3-[5-[(1R)-1-(cyclopropylamino)ethyl]-2-(trifluoromethyl)thiophen-3-yl]propyl]carbamate
CID 118313470
tert-butyl N-[2-[1-(4-cyano-3-fluorothiophen-2-yl)ethyl-cyclopropylamino]ethyl]carbamate
CID 169245578
tert-butyl N-[(4,4-difluoro-6,7-dihydro-5H-thieno[2,3-c]pyridin-7-yl)methyl]carbamate
CID 171786830
tert-butyl N-[2-[cyclopropyl-[1-(4-ethynyl-3-fluorothiophen-2-yl)ethyl]amino]ethyl]carbamate
CID 172563109
tert-butyl N-[2-[cyclopropyl-[1-[3-fluoro-4-[2-tri(propan-2-yl)silylethynyl]thiophen-2-yl]ethyl]amino]ethyl]carbamate
CID 172563112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate (CID 172563133) is tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate is CCc1csc(C(C)N(CCNC(=O)OC(C)(C)C)C2CC2)c1.
What is the InChIKey of tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate?
The InChIKey is OIIYAFJRWYTVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-6-14-11-16(23-12-14)13(2)20(15-7-8-15)10-9-19-17(21)22-18(3,4)5/h11-13,15H,6-10H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate?
tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate has a molecular weight of 338.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[cyclopropyl-[1-(4-ethylthiophen-2-yl)ethyl]amino]ethyl]carbamate is sourced from PubChem (CID 172563133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).