2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide

C10H23N3OS — CID 103089201

IUPAC2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide
SMILESCSCCCC(NCCN(C)C)C(N)=O
InChIInChI=1S/C10H23N3OS/c1-13(2)7-6-12-9(10(11)14)5-4-8-15-3/h9,12H,4-8H2,1-3H3,(H2,11,14)
InChIKeyJZEMGBOZCKJPTG-UHFFFAOYSA-N
MW233.38 g/mol
LogP0.13
Rot. Bonds9

About 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide

2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide (PubChem CID 103089201) has the molecular formula C10H23N3OS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide
PubChem CID103089201
Molecular FormulaC10H23N3OS
Molecular Weight233.38 g/mol
Exact Mass233.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide
SMILESCSCCCC(NCCN(C)C)C(N)=O
InChIInChI=1S/C10H23N3OS/c1-13(2)7-6-12-9(10(11)14)5-4-8-15-3/h9,12H,4-8H2,1-3H3,(H2,11,14)
InChIKeyJZEMGBOZCKJPTG-UHFFFAOYSA-N
XLogP0.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethylamino]nonanamide
CID 60995912
(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride
CID 87369953
4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide
CID 23177233
2-(3-azidopropylamino)-4-methylsulfanylbutanamide
CID 66165986
(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide
CID 70436273
[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]methylphosphonic acid
CID 75241670
2-(propylamino)octanamide
CID 60795649
2-(tridecylamino)octanamide
CID 154123950
2-(propylamino)nonanamide
CID 60796532
ethyl 2-(cyclopropylmethylamino)-5-methylsulfanylpentanoate
CID 103089350
ethyl 2-[2-(diethylamino)ethylamino]-4-methylsulfanylbutanoate
CID 54890480
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
CID 63054736

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide (CID 103089201) is 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide is CSCCCC(NCCN(C)C)C(N)=O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide?
The InChIKey is JZEMGBOZCKJPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3OS/c1-13(2)7-6-12-9(10(11)14)5-4-8-15-3/h9,12H,4-8H2,1-3H3,(H2,11,14).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide?
2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide has a molecular weight of 233.38 g/mol, XLogP of 0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide is sourced from PubChem (CID 103089201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).