N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C15H18INOS — CID 82687266

IUPACN-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(Cc1ccco1)NC1CCCc2sc(I)cc21
InChIInChI=1S/C15H18INOS/c1-10(8-11-4-3-7-18-11)17-13-5-2-6-14-12(13)9-15(16)19-14/h3-4,7,9-10,13,17H,2,5-6,8H2,1H3
InChIKeyBFVPYKRTTTURAV-UHFFFAOYSA-N
MW387.29 g/mol
LogP4.54
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 82687266) has the molecular formula C15H18INOS and a molecular weight of 387.29 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID82687266
Molecular FormulaC15H18INOS
Molecular Weight387.29 g/mol
Exact Mass387.02
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(Cc1ccco1)NC1CCCc2sc(I)cc21
InChIInChI=1S/C15H18INOS/c1-10(8-11-4-3-7-18-11)17-13-5-2-6-14-12(13)9-15(16)19-14/h3-4,7,9-10,13,17H,2,5-6,8H2,1H3
InChIKeyBFVPYKRTTTURAV-UHFFFAOYSA-N
XLogP4.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82695600
2-iodo-N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687061
2-iodo-N-(4-methylpentan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686173
N-[1-(furan-2-yl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 63100256
N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690638
(2S)-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-3-methylbutan-1-ol
CID 82689643
2-iodo-N-[(1R)-1-pyridin-3-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82696628
2-chloro-N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689766
N-[1-(3-bromophenyl)ethyl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687055
N-[1-(2-fluorophenyl)ethyl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690093
N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 43783217
N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687105

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 82687266) is N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CC(Cc1ccco1)NC1CCCc2sc(I)cc21.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is BFVPYKRTTTURAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INOS/c1-10(8-11-4-3-7-18-11)17-13-5-2-6-14-12(13)9-15(16)19-14/h3-4,7,9-10,13,17H,2,5-6,8H2,1H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 387.29 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 82687266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).