N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine

C12H15NS — CID 112715904

IUPACN-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine
SMILESCNC1c2ccccc2SC12CCC2
InChIInChI=1S/C12H15NS/c1-13-11-9-5-2-3-6-10(9)14-12(11)7-4-8-12/h2-3,5-6,11,13H,4,7-8H2,1H3
InChIKeyBOKWTIRPKNACTB-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.98
Rot. Bonds1

About N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine

N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine (PubChem CID 112715904) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine.

Molecular Properties

Compound NameN-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine
PubChem CID112715904
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine
SMILESCNC1c2ccccc2SC12CCC2
InChIInChI=1S/C12H15NS/c1-13-11-9-5-2-3-6-10(9)14-12(11)7-4-8-12/h2-3,5-6,11,13H,4,7-8H2,1H3
InChIKeyBOKWTIRPKNACTB-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine with MolForge

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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-ylpropan-1-amine
CID 83910389
spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
CID 83907444
2-spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylacetic acid
CID 83910462
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
CID 79220613
1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine
CID 143183648
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
(3S)-1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine]
CID 1229974
(4aR,9bR)-4a-methyl-2,3,4,9b-tetrahydro-1H-[1]benzothiolo[3,2-b]pyridine
CID 59542445
1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
CID 81345434
1-(2,3-dihydro-1-benzothiophen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 105163222
N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine
CID 83909985

Frequently Asked Questions

What is the IUPAC name of N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine?
The IUPAC name of N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine (CID 112715904) is N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine.
What is the SMILES notation for N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine?
The canonical SMILES for N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine is CNC1c2ccccc2SC12CCC2.
What is the InChIKey of N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine?
The InChIKey is BOKWTIRPKNACTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-13-11-9-5-2-3-6-10(9)14-12(11)7-4-8-12/h2-3,5-6,11,13H,4,7-8H2,1H3.
What are the key properties of N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine?
N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine has a molecular weight of 205.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine is sourced from PubChem (CID 112715904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).