N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide

C15H27NO2S — CID 156890356

IUPACN-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide
SMILESCCCCC(=O)NC1CCCC2CCCC(SO)C21
InChIInChI=1S/C15H27NO2S/c1-2-3-10-14(17)16-12-8-4-6-11-7-5-9-13(19-18)15(11)12/h11-13,15,18H,2-10H2,1H3,(H,16,17)
InChIKeyPTLIRQRMVKGRND-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.84
Rot. Bonds5

About N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide

N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide (PubChem CID 156890356) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide.

Molecular Properties

Compound NameN-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide
PubChem CID156890356
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide
SMILESCCCCC(=O)NC1CCCC2CCCC(SO)C21
InChIInChI=1S/C15H27NO2S/c1-2-3-10-14(17)16-12-8-4-6-11-7-5-9-13(19-18)15(11)12/h11-13,15,18H,2-10H2,1H3,(H,16,17)
InChIKeyPTLIRQRMVKGRND-UHFFFAOYSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 62957090
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CID 106367298
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
N-(2-bromocyclohexyl)heptanamide
CID 114754026
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide?
The IUPAC name of N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide (CID 156890356) is N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide.
What is the SMILES notation for N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide?
The canonical SMILES for N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide is CCCCC(=O)NC1CCCC2CCCC(SO)C21.
What is the InChIKey of N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide?
The InChIKey is PTLIRQRMVKGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-2-3-10-14(17)16-12-8-4-6-11-7-5-9-13(19-18)15(11)12/h11-13,15,18H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide?
N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide has a molecular weight of 285.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxysulfanyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)pentanamide is sourced from PubChem (CID 156890356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).