spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine

C11H13NS — CID 83907444

IUPACspiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
SMILESNCC1c2ccccc2SC12CC2
InChIInChI=1S/C11H13NS/c12-7-9-8-3-1-2-4-10(8)13-11(9)5-6-11/h1-4,9H,5-7,12H2
InChIKeyZQAYCSUOIKTIRR-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.37
Rot. Bonds1

About spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine

spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine (PubChem CID 83907444) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine.

Molecular Properties

Compound Namespiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
PubChem CID83907444
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Namespiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
SMILESNCC1c2ccccc2SC12CC2
InChIInChI=1S/C11H13NS/c12-7-9-8-3-1-2-4-10(8)13-11(9)5-6-11/h1-4,9H,5-7,12H2
InChIKeyZQAYCSUOIKTIRR-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine
CID 83910390
2-spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylacetic acid
CID 83910462
2-spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylpropan-1-amine
CID 83910389
N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine
CID 112715904
3,4-dihydro-2H-thiochromen-4-ylmethanamine
CID 82409281
(3S)-1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine]
CID 1229974
1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine
CID 143183648
1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
CID 81345434
spiro[1,2-dihydroindene-3,1'-cyclopropane]-1-ylmethanamine
CID 83752617
[(2R)-2,3-dihydro-1,4-benzoxathiin-2-yl]methanamine
CID 124675053
(4aR,9bR)-4a-methyl-2,3,4,9b-tetrahydro-1H-[1]benzothiolo[3,2-b]pyridine
CID 59542445
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine
CID 79221485

Frequently Asked Questions

What is the IUPAC name of spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine?
The IUPAC name of spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine (CID 83907444) is spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine.
What is the SMILES notation for spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine?
The canonical SMILES for spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine is NCC1c2ccccc2SC12CC2.
What is the InChIKey of spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine?
The InChIKey is ZQAYCSUOIKTIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c12-7-9-8-3-1-2-4-10(8)13-11(9)5-6-11/h1-4,9H,5-7,12H2.
What are the key properties of spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine?
spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine has a molecular weight of 191.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine is sourced from PubChem (CID 83907444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).