(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine

C17H27NS — CID 81392929

IUPAC(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESC[C@@H](NCCSc1ccccc1)C1CCCCCC1
InChIInChI=1S/C17H27NS/c1-15(16-9-5-2-3-6-10-16)18-13-14-19-17-11-7-4-8-12-17/h4,7-8,11-12,15-16,18H,2-3,5-6,9-10,13-14H2,1H3/t15-/m1/s1
InChIKeyAZCYTYHYYRFOGO-OAHLLOKOSA-N
MW277.48 g/mol
LogP4.73
Rot. Bonds6

About (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine

(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 81392929) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID81392929
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESC[C@@H](NCCSc1ccccc1)C1CCCCCC1
InChIInChI=1S/C17H27NS/c1-15(16-9-5-2-3-6-10-16)18-13-14-19-17-11-7-4-8-12-17/h4,7-8,11-12,15-16,18H,2-3,5-6,9-10,13-14H2,1H3/t15-/m1/s1
InChIKeyAZCYTYHYYRFOGO-OAHLLOKOSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine
CID 54881034
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
N-[2-(3-chlorophenyl)sulfanylethyl]-1-cyclopropylethanamine
CID 62646836
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
N-(2-phenylsulfanylethyl)-1-piperidin-2-ylpropan-2-amine
CID 79537019
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
(2S)-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 104867871
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine (CID 81392929) is (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine is C[C@@H](NCCSc1ccccc1)C1CCCCCC1.
What is the InChIKey of (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is AZCYTYHYYRFOGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27NS/c1-15(16-9-5-2-3-6-10-16)18-13-14-19-17-11-7-4-8-12-17/h4,7-8,11-12,15-16,18H,2-3,5-6,9-10,13-14H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine?
(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 277.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 81392929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).