tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate

C12H20N2O2S — CID 90458389

IUPACtert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
SMILESCC(CNc1cccs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(8-13-10-6-5-7-17-10)14-11(15)16-12(2,3)4/h5-7,9,13H,8H2,1-4H3,(H,14,15)
InChIKeyMMUKKYORKZQELM-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.07
Rot. Bonds4

About tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate

tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate (PubChem CID 90458389) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
PubChem CID90458389
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nametert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
SMILESCC(CNc1cccs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(8-13-10-6-5-7-17-10)14-11(15)16-12(2,3)4/h5-7,9,13H,8H2,1-4H3,(H,14,15)
InChIKeyMMUKKYORKZQELM-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
tert-butyl N-[1-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-yl]carbamate
CID 107247756
tert-butyl 2-(thiophen-2-ylamino)acetate
CID 57324703
tert-butyl N-[(1S,2R)-2-nitro-1-thiophen-2-ylpropyl]carbamate
CID 46201421
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
tert-butyl N-(1-chloro-2-thiophen-2-ylethyl)carbamate
CID 70494675
tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate
CID 107247394
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
thiophen-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 56997717
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
CID 102516088
tert-butyl N-(1,3-dihydroxy-1-thiophen-2-ylpropan-2-yl)carbamate
CID 75586810
tert-butyl N-[(2S)-1-(2-nitroanilino)propan-2-yl]carbamate
CID 129397779

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate (CID 90458389) is tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate is CC(CNc1cccs1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate?
The InChIKey is MMUKKYORKZQELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(8-13-10-6-5-7-17-10)14-11(15)16-12(2,3)4/h5-7,9,13H,8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate?
tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate has a molecular weight of 256.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 90458389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).