N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C15H19NS2 — CID 62842653

IUPACN-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(Cc1cccs1)NC1CCCc2sccc21
InChIInChI=1S/C15H19NS2/c1-11(10-12-4-3-8-17-12)16-14-5-2-6-15-13(14)7-9-18-15/h3-4,7-9,11,14,16H,2,5-6,10H2,1H3
InChIKeyUPRKJLBCJXWNKP-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.41
Rot. Bonds4

About N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 62842653) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID62842653
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC NameN-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(Cc1cccs1)NC1CCCc2sccc21
InChIInChI=1S/C15H19NS2/c1-11(10-12-4-3-8-17-12)16-14-5-2-6-15-13(14)7-9-18-15/h3-4,7-9,11,14,16H,2,5-6,10H2,1H3
InChIKeyUPRKJLBCJXWNKP-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-iodo-N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687061
N-[1-(2,6-difluorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841090
N-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115893107
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
methyl 3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butanoate
CID 55121918
8-bromo-N-(1-thiophen-2-ylpropan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43783092
N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842628
N-[(1R)-1-cyclopentylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81393881
N-(6,6,6-trifluorohexan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 116534761
4-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butyl]phenol
CID 62842491
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]phenol
CID 62841470
N-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 59461030

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 62842653) is N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CC(Cc1cccs1)NC1CCCc2sccc21.
What is the InChIKey of N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is UPRKJLBCJXWNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-11(10-12-4-3-8-17-12)16-14-5-2-6-15-13(14)7-9-18-15/h3-4,7-9,11,14,16H,2,5-6,10H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 277.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 62842653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).