N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide

C12H24N2OS2 — CID 11223090

IUPACN-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide
SMILESCN(C)CCNC(=O)CCCC[C@@H]1CCSS1
InChIInChI=1S/C12H24N2OS2/c1-14(2)9-8-13-12(15)6-4-3-5-11-7-10-16-17-11/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyFUMFVZQFUSTSBW-LLVKDONJSA-N
MW276.47 g/mol
LogP2.38
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide

N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide (PubChem CID 11223090) has the molecular formula C12H24N2OS2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide
PubChem CID11223090
Molecular FormulaC12H24N2OS2
Molecular Weight276.47 g/mol
Exact Mass276.13
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide
SMILESCN(C)CCNC(=O)CCCC[C@@H]1CCSS1
InChIInChI=1S/C12H24N2OS2/c1-14(2)9-8-13-12(15)6-4-3-5-11-7-10-16-17-11/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyFUMFVZQFUSTSBW-LLVKDONJSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-[2-(decanoylamino)ethyldisulfanyl]ethyl]decanamide
CID 13909757
5-(Dithiolan-3-yl)-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 20701506
1,2-Dithiolane-3-pentanamide, N-2-propyn-1-yl-
CID 54585260
N-(2-Amino-2-oxoethyl)-1,2-dithiolane-3-pentanamide
CID 393620
Diethyllipoamide
CID 168401
N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide
CID 52911769
N-(2-Sulfanylethyl)decanamide
CID 71358374
Octanamide, N-(2-mercaptoethyl)-
CID 521749
N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide
CID 52911770
Bis[2-((undecylcarbonyl)amino)ethyl]disulfide
CID 85773311
Bis[2-((tetradecylcarbonyl)amino)ethyl]disulfide
CID 85793759
Dodecyl-dimethyl-[3-(11-sulfanylundecanoylamino)propyl]azanium
CID 25268925

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide (CID 11223090) is N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide is CN(C)CCNC(=O)CCCC[C@@H]1CCSS1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide?
The InChIKey is FUMFVZQFUSTSBW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2OS2/c1-14(2)9-8-13-12(15)6-4-3-5-11-7-10-16-17-11/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide?
N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide has a molecular weight of 276.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[(3R)-dithiolan-3-yl]pentanamide is sourced from PubChem (CID 11223090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).