N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C14H20INS — CID 82690638

IUPACN-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(CC1CC1)NC1CCCc2sc(I)cc21
InChIInChI=1S/C14H20INS/c1-9(7-10-5-6-10)16-12-3-2-4-13-11(12)8-14(15)17-13/h8-10,12,16H,2-7H2,1H3
InChIKeyLKQTUQGLKAFHQY-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.51
Rot. Bonds4

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

N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 82690638) has the molecular formula C14H20INS and a molecular weight of 361.29 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID82690638
Molecular FormulaC14H20INS
Molecular Weight361.29 g/mol
Exact Mass361.04
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(CC1CC1)NC1CCCc2sc(I)cc21
InChIInChI=1S/C14H20INS/c1-9(7-10-5-6-10)16-12-3-2-4-13-11(12)8-14(15)17-13/h8-10,12,16H,2-7H2,1H3
InChIKeyLKQTUQGLKAFHQY-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 82690638) is N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CC(CC1CC1)NC1CCCc2sc(I)cc21.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is LKQTUQGLKAFHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INS/c1-9(7-10-5-6-10)16-12-3-2-4-13-11(12)8-14(15)17-13/h8-10,12,16H,2-7H2,1H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 361.29 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 82690638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).