N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine

C14H25NS2 — CID 123291785

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCCNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C14H25NS2/c1-11(2)16-9-8-15-10-12-6-7-13(17-12)14(3,4)5/h6-7,11,15H,8-10H2,1-5H3
InChIKeyDVKOYFJZTXINCD-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.28
Rot. Bonds6

About N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine

N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine (PubChem CID 123291785) has the molecular formula C14H25NS2 and a molecular weight of 271.49 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
PubChem CID123291785
Molecular FormulaC14H25NS2
Molecular Weight271.49 g/mol
Exact Mass271.14
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCCNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C14H25NS2/c1-11(2)16-9-8-15-10-12-6-7-13(17-12)14(3,4)5/h6-7,11,15H,8-10H2,1-5H3
InChIKeyDVKOYFJZTXINCD-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904213
1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 81497928
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115742089
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
N-[(5-tert-butylthiophen-2-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 81498673
N-[(5-tert-butylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115742295
N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529605
N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide
CID 103816261
2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335429
3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81498910
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 103816282
N-[(5-tert-butylthiophen-2-yl)methyl]-2-pyrazol-1-ylethanamine
CID 81497600

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine (CID 123291785) is N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine is CC(C)SCCNCc1ccc(C(C)(C)C)s1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine?
The InChIKey is DVKOYFJZTXINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS2/c1-11(2)16-9-8-15-10-12-6-7-13(17-12)14(3,4)5/h6-7,11,15H,8-10H2,1-5H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine?
N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine has a molecular weight of 271.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 123291785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).