5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine

C14H18ClNOS — CID 113403857

IUPAC5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine
SMILESCNC1c2c(Cl)cc3c(c2CSCC1C)OCC3
InChIInChI=1S/C14H18ClNOS/c1-8-6-18-7-10-12(13(8)16-2)11(15)5-9-3-4-17-14(9)10/h5,8,13,16H,3-4,6-7H2,1-2H3
InChIKeyGLEVUIXBXCFPTF-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.42
Rot. Bonds1

About 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine

5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine (PubChem CID 113403857) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine.

Molecular Properties

Compound Name5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine
PubChem CID113403857
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine
SMILESCNC1c2c(Cl)cc3c(c2CSCC1C)OCC3
InChIInChI=1S/C14H18ClNOS/c1-8-6-18-7-10-12(13(8)16-2)11(15)5-9-3-4-17-14(9)10/h5,8,13,16H,3-4,6-7H2,1-2H3
InChIKeyGLEVUIXBXCFPTF-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-9-fluoro-N,4-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 114863042
6,8-difluoro-N,4-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 105411726
5-chloro-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1]benzofuran-6-amine
CID 113425600
6-bromo-N-ethyl-10-methyl-2,3,7,9,10,11-hexahydrothiepino[3,4-h][1,4]benzodioxin-11-amine
CID 82888976
5-chloro-N-ethyl-9-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-6-amine
CID 113425605
8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537828
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 83885677
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990
6,9-dichloro-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82888560
4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclohexan-1-ol
CID 116986304
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 104545410
7-chloro-N-ethyl-9-fluoro-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 114863043

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine?
The IUPAC name of 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine (CID 113403857) is 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine.
What is the SMILES notation for 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine?
The canonical SMILES for 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine is CNC1c2c(Cl)cc3c(c2CSCC1C)OCC3.
What is the InChIKey of 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine?
The InChIKey is GLEVUIXBXCFPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-8-6-18-7-10-12(13(8)16-2)11(15)5-9-3-4-17-14(9)10/h5,8,13,16H,3-4,6-7H2,1-2H3.
What are the key properties of 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine?
5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine has a molecular weight of 283.82 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,7-dimethyl-2,3,6,7,8,10-hexahydrothiepino[4,3-g][1]benzofuran-6-amine is sourced from PubChem (CID 113403857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).