tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate

C18H32N2O2S — CID 107252627

IUPACtert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
SMILESCCc1ccc(CNC(C)(CNC(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C18H32N2O2S/c1-8-14-9-10-15(23-14)11-20-18(7,13(2)3)12-19-16(21)22-17(4,5)6/h9-10,13,20H,8,11-12H2,1-7H3,(H,19,21)
InChIKeyKYZHWXCOCWSPIA-UHFFFAOYSA-N
MW340.53 g/mol
LogP4.34
Rot. Bonds7

About tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate

tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate (PubChem CID 107252627) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
PubChem CID107252627
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Nametert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
SMILESCCc1ccc(CNC(C)(CNC(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C18H32N2O2S/c1-8-14-9-10-15(23-14)11-20-18(7,13(2)3)12-19-16(21)22-17(4,5)6/h9-10,13,20H,8,11-12H2,1-7H3,(H,19,21)
InChIKeyKYZHWXCOCWSPIA-UHFFFAOYSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 103953855
tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252617
tert-butyl N-[2-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884975
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypropyl]carbamate
CID 106508909
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[3-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887048
methyl 2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]thiophen-2-yl]acetate
CID 103933670
tert-butyl N-[(2R)-2,3-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]butyl]carbamate
CID 129397429
tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
CID 107252640
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 119038076
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate (CID 107252627) is tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate is CCc1ccc(CNC(C)(CNC(=O)OC(C)(C)C)C(C)C)s1.
What is the InChIKey of tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate?
The InChIKey is KYZHWXCOCWSPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-8-14-9-10-15(23-14)11-20-18(7,13(2)3)12-19-16(21)22-17(4,5)6/h9-10,13,20H,8,11-12H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate?
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate has a molecular weight of 340.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate is sourced from PubChem (CID 107252627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).