5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide

C15H30N2S — CID 65259797

IUPAC5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
SMILESCCC1CCCN(CCCC(C)(C)C(N)=S)CC1
InChIInChI=1S/C15H30N2S/c1-4-13-7-5-10-17(12-8-13)11-6-9-15(2,3)14(16)18/h13H,4-12H2,1-3H3,(H2,16,18)
InChIKeyOAYWIKQYPTXTMP-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.59
Rot. Bonds6

About 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide

5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide (PubChem CID 65259797) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide.

Molecular Properties

Compound Name5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
PubChem CID65259797
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
SMILESCCC1CCCN(CCCC(C)(C)C(N)=S)CC1
InChIInChI=1S/C15H30N2S/c1-4-13-7-5-10-17(12-8-13)11-6-9-15(2,3)14(16)18/h13H,4-12H2,1-3H3,(H2,16,18)
InChIKeyOAYWIKQYPTXTMP-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809648
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436
4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
CID 77024693
2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
CID 65258334
5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 65259698
4-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylbutanethioamide
CID 106586975
5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 81098207
1-(9-bromononyl)-4-ethylazepane
CID 105343800
1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818689
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 65258244

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide?
The IUPAC name of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide (CID 65259797) is 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide.
What is the SMILES notation for 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide?
The canonical SMILES for 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide is CCC1CCCN(CCCC(C)(C)C(N)=S)CC1.
What is the InChIKey of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide?
The InChIKey is OAYWIKQYPTXTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-13-7-5-10-17(12-8-13)11-6-9-15(2,3)14(16)18/h13H,4-12H2,1-3H3,(H2,16,18).
What are the key properties of 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide?
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide has a molecular weight of 270.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide is sourced from PubChem (CID 65259797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).