5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide

C11H23N3OS — CID 121263431

IUPAC5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide
SMILESCCNC(=O)CCCCC1SCC(N)C1N
InChIInChI=1S/C11H23N3OS/c1-2-14-10(15)6-4-3-5-9-11(13)8(12)7-16-9/h8-9,11H,2-7,12-13H2,1H3,(H,14,15)
InChIKeyHKXUZLFTGOBVCP-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.45
Rot. Bonds6

About 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide

5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide (PubChem CID 121263431) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide.

Molecular Properties

Compound Name5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide
PubChem CID121263431
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide
SMILESCCNC(=O)CCCCC1SCC(N)C1N
InChIInChI=1S/C11H23N3OS/c1-2-14-10(15)6-4-3-5-9-11(13)8(12)7-16-9/h8-9,11H,2-7,12-13H2,1H3,(H,14,15)
InChIKeyHKXUZLFTGOBVCP-UHFFFAOYSA-N
XLogP0.45
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2S,3S,4R)-3-amino-4-(15N)azanylthiolan-2-yl]pentanoic acid
CID 10104842
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-5-(3,4-diaminothiolan-2-yl)pentanamide
CID 70828633
N,N'-diethylnonanediamide
CID 89048639
N'-ethylnonanediamide
CID 18377762
N'-ethyldodecanediamide
CID 175230920
methyl 5-(4-amino-3-formamidothiolan-2-yl)pentanoate
CID 146764067
5-[(2S,3S,4R)-3-amino-4-formamidothiolan-2-yl]pentanoic acid
CID 88940226
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
N-ethyloctadecanamide;octadecanamide
CID 159879248
2-amino-N-ethyl-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide
CID 122236782

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide?
The IUPAC name of 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide (CID 121263431) is 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide.
What is the SMILES notation for 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide?
The canonical SMILES for 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide is CCNC(=O)CCCCC1SCC(N)C1N.
What is the InChIKey of 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide?
The InChIKey is HKXUZLFTGOBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-2-14-10(15)6-4-3-5-9-11(13)8(12)7-16-9/h8-9,11H,2-7,12-13H2,1H3,(H,14,15).
What are the key properties of 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide?
5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide has a molecular weight of 245.39 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diaminothiolan-2-yl)-N-ethylpentanamide is sourced from PubChem (CID 121263431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).