2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine

C17H25NOS — CID 114745496

IUPAC2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
SMILESNC(CSC1CCCCC1)c1cccc2c1OCCC2
InChIInChI=1S/C17H25NOS/c18-16(12-20-14-8-2-1-3-9-14)15-10-4-6-13-7-5-11-19-17(13)15/h4,6,10,14,16H,1-3,5,7-9,11-12,18H2
InChIKeyYYAORUHUHGLCLQ-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.08
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine

2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine (PubChem CID 114745496) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
PubChem CID114745496
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
SMILESNC(CSC1CCCCC1)c1cccc2c1OCCC2
InChIInChI=1S/C17H25NOS/c18-16(12-20-14-8-2-1-3-9-14)15-10-4-6-13-7-5-11-19-17(13)15/h4,6,10,14,16H,1-3,5,7-9,11-12,18H2
InChIKeyYYAORUHUHGLCLQ-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114745488
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745649
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745490
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442
[cyclohexyl(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 105201959
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methylsulfanylethyl]hydrazine
CID 105214067

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine (CID 114745496) is 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine is NC(CSC1CCCCC1)c1cccc2c1OCCC2.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine?
The InChIKey is YYAORUHUHGLCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c18-16(12-20-14-8-2-1-3-9-14)15-10-4-6-13-7-5-11-19-17(13)15/h4,6,10,14,16H,1-3,5,7-9,11-12,18H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine?
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine has a molecular weight of 291.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine is sourced from PubChem (CID 114745496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).