tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate

C16H25ClN2O2S — CID 103785726

IUPACtert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
SMILESCC(NC(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H25ClN2O2S/c1-10(13-7-8-14(17)22-13)19-12(11-5-6-11)9-18-15(20)21-16(2,3)4/h7-8,10-12,19H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyPECCLDMRXGKVAN-UHFFFAOYSA-N
MW344.91 g/mol
LogP4.36
Rot. Bonds6

About tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate

tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate (PubChem CID 103785726) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
PubChem CID103785726
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Nametert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
SMILESCC(NC(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H25ClN2O2S/c1-10(13-7-8-14(17)22-13)19-12(11-5-6-11)9-18-15(20)21-16(2,3)4/h7-8,10-12,19H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyPECCLDMRXGKVAN-UHFFFAOYSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
tert-butyl N-[2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbutyl]carbamate
CID 107441541
tert-butyl N-[2-cyclopropyl-2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]carbamate
CID 103898794
tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
CID 107093722
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
CID 104578291
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate (CID 103785726) is tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate is CC(NC(CNC(=O)OC(C)(C)C)C1CC1)c1ccc(Cl)s1.
What is the InChIKey of tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate?
The InChIKey is PECCLDMRXGKVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2S/c1-10(13-7-8-14(17)22-13)19-12(11-5-6-11)9-18-15(20)21-16(2,3)4/h7-8,10-12,19H,5-6,9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate?
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate has a molecular weight of 344.91 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate is sourced from PubChem (CID 103785726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).