N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide

C14H25NOS2 — CID 91418766

IUPACN-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide
SMILESCC1(CCCCC(=O)NC2CCCC2)CCSS1
InChIInChI=1S/C14H25NOS2/c1-14(10-11-17-18-14)9-5-4-8-13(16)15-12-6-2-3-7-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyIPBDBKULOQKUGH-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.15
Rot. Bonds6

About N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide

N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide (PubChem CID 91418766) has the molecular formula C14H25NOS2 and a molecular weight of 287.49 g/mol. Its IUPAC name is N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide
PubChem CID91418766
Molecular FormulaC14H25NOS2
Molecular Weight287.49 g/mol
Exact Mass287.14
IUPAC NameN-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide
SMILESCC1(CCCCC(=O)NC2CCCC2)CCSS1
InChIInChI=1S/C14H25NOS2/c1-14(10-11-17-18-14)9-5-4-8-13(16)15-12-6-2-3-7-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyIPBDBKULOQKUGH-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 10244853
N-cycloheptylnonanamide
CID 5045141
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
5-chloro-N-cyclooctylpentanamide
CID 28733608
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N,N'-dicyclopropyldecanediamide
CID 4668836
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
N-cyclooctylbutanamide
CID 4614062
N-cyclohexyl-4-(5,5-dimethyl-1,3-dioxan-2-yl)butanamide
CID 91798406
(E)-N-cyclohexyloctadec-9-enamide
CID 10948482

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide?
The IUPAC name of N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide (CID 91418766) is N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide.
What is the SMILES notation for N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide?
The canonical SMILES for N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide is CC1(CCCCC(=O)NC2CCCC2)CCSS1.
What is the InChIKey of N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide?
The InChIKey is IPBDBKULOQKUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS2/c1-14(10-11-17-18-14)9-5-4-8-13(16)15-12-6-2-3-7-12/h12H,2-11H2,1H3,(H,15,16).
What are the key properties of N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide?
N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide has a molecular weight of 287.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide is sourced from PubChem (CID 91418766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).