1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride

C13H20ClNOS — CID 17174989

IUPAC1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1OC2CCCCC2c2sccc21.Cl
InChIInChI=1S/C13H19NOS.ClH/c1-14-8-12-10-6-7-16-13(10)9-4-2-3-5-11(9)15-12;/h6-7,9,11-12,14H,2-5,8H2,1H3;1H
InChIKeyHKLTYKVPDGSVKN-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.49
Rot. Bonds2

About 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride

1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride (PubChem CID 17174989) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride
PubChem CID17174989
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1OC2CCCCC2c2sccc21.Cl
InChIInChI=1S/C13H19NOS.ClH/c1-14-8-12-10-6-7-16-13(10)9-4-2-3-5-11(9)15-12;/h6-7,9,11-12,14H,2-5,8H2,1H3;1H
InChIKeyHKLTYKVPDGSVKN-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5aR,9aS)-4-(3,4,5-trimethoxyphenyl)-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromene
CID 7357398
1-(4-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine
CID 166519253
N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 167437528
1-[(4R,7R)-7-(3,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-N-methylmethanamine
CID 167437561
N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine
CID 165391178
1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine
CID 81017794
N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine
CID 124547857
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)methanamine
CID 53239627
1-[2-(2-chlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine
CID 130679836
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-[(8S)-spiro[6,8-dihydro-5H-thieno[2,3-c]oxepine-4,1'-cyclopropane]-8-yl]methanamine
CID 171720993
methyl 1-[2-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)phenyl]-3-amino-4-cyanopyrrole-2-carboxylate
CID 168548760

Frequently Asked Questions

What is the IUPAC name of 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride (CID 17174989) is 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride is CNCC1OC2CCCCC2c2sccc21.Cl.
What is the InChIKey of 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is HKLTYKVPDGSVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS.ClH/c1-14-8-12-10-6-7-16-13(10)9-4-2-3-5-11(9)15-12;/h6-7,9,11-12,14H,2-5,8H2,1H3;1H.
What are the key properties of 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride?
1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 273.83 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 17174989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).