3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine

C17H34N2S — CID 116503655

IUPAC3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine
SMILESCCSCCCNCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H34N2S/c1-2-20-15-9-12-18-16-17(10-5-3-6-11-17)19-13-7-4-8-14-19/h18H,2-16H2,1H3
InChIKeyBIHNRZLNMBELSV-UHFFFAOYSA-N
MW298.54 g/mol
LogP3.91
Rot. Bonds8

About 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine

3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine (PubChem CID 116503655) has the molecular formula C17H34N2S and a molecular weight of 298.54 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine
PubChem CID116503655
Molecular FormulaC17H34N2S
Molecular Weight298.54 g/mol
Exact Mass298.24
IUPAC Name3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine
SMILESCCSCCCNCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H34N2S/c1-2-20-15-9-12-18-16-17(10-5-3-6-11-17)19-13-7-4-8-14-19/h18H,2-16H2,1H3
InChIKeyBIHNRZLNMBELSV-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride
CID 21409916
N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine
CID 60692485
3-ethylsulfanyl-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
CID 107272066
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
CID 121207930
N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
CID 163582901
1-cyclopentyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 63420585
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197
N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 113474207
1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
CID 104668682
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine
CID 104668675
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 66410016

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine (CID 116503655) is 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine is CCSCCCNCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine?
The InChIKey is BIHNRZLNMBELSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2S/c1-2-20-15-9-12-18-16-17(10-5-3-6-11-17)19-13-7-4-8-14-19/h18H,2-16H2,1H3.
What are the key properties of 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine?
3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine has a molecular weight of 298.54 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 116503655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).