N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine

C12H21NOS2 — CID 115721127

IUPACN-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCCS(=O)C(C)(C)C)c1cccs1
InChIInChI=1S/C12H21NOS2/c1-10(11-6-5-8-15-11)13-7-9-16(14)12(2,3)4/h5-6,8,10,13H,7,9H2,1-4H3
InChIKeyVXRLRAFWQMSNOZ-UHFFFAOYSA-N
MW259.44 g/mol
LogP2.95
Rot. Bonds5

About N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine

N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine (PubChem CID 115721127) has the molecular formula C12H21NOS2 and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine
PubChem CID115721127
Molecular FormulaC12H21NOS2
Molecular Weight259.44 g/mol
Exact Mass259.11
IUPAC NameN-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCCS(=O)C(C)(C)C)c1cccs1
InChIInChI=1S/C12H21NOS2/c1-10(11-6-5-8-15-11)13-7-9-16(14)12(2,3)4/h5-6,8,10,13H,7,9H2,1-4H3
InChIKeyVXRLRAFWQMSNOZ-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine
CID 97322563
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-thiophen-2-ylethyl]amino]hexanimidamide
CID 106711482
N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide
CID 106711483
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
1-[2-[(S)-tert-butylsulfinyl]ethyl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 97072900

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine (CID 115721127) is N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine is CC(NCCS(=O)C(C)(C)C)c1cccs1.
What is the InChIKey of N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine?
The InChIKey is VXRLRAFWQMSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS2/c1-10(11-6-5-8-15-11)13-7-9-16(14)12(2,3)4/h5-6,8,10,13H,7,9H2,1-4H3.
What are the key properties of N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine?
N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine has a molecular weight of 259.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115721127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).