N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine

C12H17NOS — CID 165391178

IUPACN-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine
SMILESCNCC1OCC2(CCC2)c2ccsc21
InChIInChI=1S/C12H17NOS/c1-13-7-10-11-9(3-6-15-11)12(8-14-10)4-2-5-12/h3,6,10,13H,2,4-5,7-8H2,1H3
InChIKeySUJSSUNIDBBHET-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.46
Rot. Bonds2

About N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine

N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine (PubChem CID 165391178) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine
PubChem CID165391178
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine
SMILESCNCC1OCC2(CCC2)c2ccsc21
InChIInChI=1S/C12H17NOS/c1-13-7-10-11-9(3-6-15-11)12(8-14-10)4-2-5-12/h3,6,10,13H,2,4-5,7-8H2,1H3
InChIKeySUJSSUNIDBBHET-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(8S)-spiro[6,8-dihydro-5H-thieno[2,3-c]oxepine-4,1'-cyclopropane]-8-yl]methanamine
CID 171720993
spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine
CID 165391214
1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine
CID 166519253
(1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine
CID 171720994
N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylethanamine
CID 165391203
N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine
CID 171720950
N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 167437528
1-(4,4-difluoro-1,3-dihydroisochromen-1-yl)-N-methylmethanamine
CID 134208098
1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 17174989
1-[(4R,7S)-4-(3,4-dichlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 167437563
N-methyl-1-[(1R)-4,4,8-trifluoro-1,3-dihydroisochromen-1-yl]methanamine
CID 165409739
N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine
CID 124547857

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine?
The IUPAC name of N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine (CID 165391178) is N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine.
What is the SMILES notation for N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine?
The canonical SMILES for N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine is CNCC1OCC2(CCC2)c2ccsc21.
What is the InChIKey of N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine?
The InChIKey is SUJSSUNIDBBHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-13-7-10-11-9(3-6-15-11)12(8-14-10)4-2-5-12/h3,6,10,13H,2,4-5,7-8H2,1H3.
What are the key properties of N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine?
N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine has a molecular weight of 223.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine is sourced from PubChem (CID 165391178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).